DT-Web

DB07624 - 1-{[(3R)-3-methyl-4-({4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]phenyl}sulfonyl)piperazin-1-yl]methyl}cyclopropanecarboxamide


Identification
Name 1-{[(3R)-3-methyl-4-({4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]phenyl}sulfonyl)piperazin-1-yl]methyl}cyclopropanecarboxamide
Accession Number DB07624
Type small molecule
Description Not Available
Structure
MOL SDF PDB SMILES InChI
Categories (*)
Molecular Weight 449.488
Groups experimental
Monoisotopic Weight 449.15961164
Pharmacology
Indication Not Available
Mechanism of action Not Available
Absorption Not Available
Protein binding Not Available
Biotransformation Not Available
Route of elimination Not Available
Toxicity Not Available
Affected organisms Not Available
Interactions
Drug Interactions Not Available
Food Interactions Not Available

Targets


Corticosteroid 11-beta-dehydrogenase isozyme 1
Name Corticosteroid 11-beta-dehydrogenase isozyme 1
Gene Name HSD11B1
Pharmacological action unknown
Actions Not Available
References
  • Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. - Pubmed
DTHybrid score 1.3536

Predictions


Id Partner name Gene Name Score
2831 3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase Not Available 0.0719
3059 3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase fabG3 0.0719
6228 Nuclear receptor coactivator 1 NCOA1 0.0288
737 Mineralocorticoid receptor NR3C2 0.0243
871 Glucocorticoid receptor NR3C1 0.0077
6139 Solute carrier organic anion transporter family member 1A2 SLCO1A2 0.0073
587 Serum albumin ALB 0.0064
6016 Cytochrome P450 2C19 CYP2C19 0.0055
1588 Multidrug resistance protein 1 ABCB1 0.0054
4512 Cytochrome P450 3A4 CYP3A4 0.0047
3781 Thiol:disulfide interchange protein dsbC precursor dsbC 0.0045
5449 Hypothetical gliding protein mglB 0.0045
5443 UPF0189 protein ymdB ymdB 0.0045
5440 UPF0067 protein yebR yebR 0.0045
2720 Copper-containing nitrite reductase nirK 0.0045
5439 33 kDa chaperonin hslO 0.0045
5448 Ribonuclease Z rnz 0.0045
5446 3-deoxy-D-manno-octulosonate 8-phosphate phosphatase HI_1679 0.0045
4705 Manganese catalase Not Available 0.0045
5447 Lethal(3)malignant brain tumor-like protein L3MBTL1 0.0045
5454 Internalin-A inlA 0.0045
332 Beta-lactamase blaZ 0.0045
2478 Beta-lactamase ampC 0.0045
2613 Beta-lactamase ampC 0.0045
2635 Beta-lactamase ampC 0.0045
2700 Beta-lactamase penP 0.0045
5445 Beta-lactamase blaB 0.0045
6019 Beta-lactamase SHV-7 0.0045
6701 Beta-lactamase cphA 0.0045
597 Dihydropteridine reductase QDPR 0.004
4498 Ornithine cyclodeaminase PP3533 0.004
4771 Dissimilatory copper-containing nitrite reductase nir 0.0039
5450 Prolyl endopeptidase Pep pep 0.0039
2714 Chorismate mutase aroH 0.0039
4611 Chorismate mutase aroG 0.0039
3356 Diaminopimelate decarboxylase lysA 0.0039
3274 Hydroxylamine reductase hcp 0.0039
4804 Hydroxylamine reductase hcp 0.0039
3736 Glyceraldehyde-3-phosphate dehydrogenase A gapA 0.0037
3697 Bifunctional protein glmU [Includes: UDP-N-acetylglucosamine pyrophosphorylase glmU 0.0036
3399 Limonene-1,2-epoxide hydrolase limA 0.0036
3462 Tyrosine-protein kinase transforming protein Abl ABL 0.0036
5180 L(+)-mandelate dehydrogenase mdlB 0.0034
3500 Putative family 31 glucosidase yicI yicI 0.0034
4608 Putative cytochrome P450 SCO1207 0.0033
4963 Putative cytochrome P450 SCO2884 0.0033
6254 Putative cytochrome P450 SCO6998 0.0033
1615 Chymase CMA1 0.0032
3480 Mannan endo-1,4-beta-mannosidase manA 0.0032
2597 Glucosamine--fructose-6-phosphate aminotransferase [isomerizing] glmS 0.0031
577 Argininosuccinate lyase ASL 0.0031
287 Beta-1,4-galactosyltransferase 1 B4GALT1 0.003
635 Estradiol 17-beta-dehydrogenase 8 HSD17B8 0.0028
666 NADP-dependent malic enzyme ME1 0.0028
3772 3-oxoacyl-[acyl-carrier-protein] reductase fabG 0.0028
5157 Dehydrogenase/reductase SDR family member 11 DHRS11 0.0028
646 Malate dehydrogenase, cytoplasmic MDH1 0.0028
5326 Oxidoreductase, short chain dehydrogenase/reductase family TM_0441 0.0028
5346 Oxidoreductase, aldo/keto reductase family TM_1009 0.0028
5332 MtdA bifunctional protein mtdA 0.0028
4403 Protein iolS iolS 0.0028
5330 General stress protein 69 yhdN 0.0028
5333 Alcohol dehydrogenase, iron-containing TM_0920 0.0028
3778 NAD(P) transhydrogenase subunit beta pntB 0.0028
5343 NADP-dependent fatty aldehyde dehydrogenase aldH 0.0028
5322 Oxidoreductase ydhF ydhF 0.0028
5342 NADH-dependent butanol dehydrogenase, putative TM_0820 0.0028
11 NAD(P) transhydrogenase, mitochondrial NNT 0.0028
4484 2,5-diketo-D-gluconic acid reductase A dkgA 0.0025
686 Aldo-keto reductase family 1 member C2 AKR1C2 0.0025
2375 ADP-L-glycero-D-manno-heptose-6-epimerase hldD 0.0025
6861 Alcohol dehydrogenase [NADP+] AKR1A1 0.0025
5073 Ferredoxin--NADP reductase petH 0.0025
5076 Ferredoxin--NADP reductase fpr 0.0025
5119 Ferredoxin--NADP reductase petH 0.0025
5121 Ferredoxin--NADP reductase fpr 0.0025
5075 Sulfite reductase [NADPH] flavoprotein alpha-component cysJ 0.0025
989 L-xylulose reductase DCXR 0.0024
4582 Putative pteridine reductase 2 ptr2 0.0024
4628 NADP-dependent glyceraldehyde-3-phosphate dehydrogenase gapN 0.0024
2636 Shikimate dehydrogenase aroE 0.0024
3515 Shikimate dehydrogenase aroE 0.0024
5328 Prostaglandin F synthase Tb11.02.2310 0.0024
3446 NADP-dependent alcohol dehydrogenase adh 0.0024
1799 Glucose-6-phosphate 1-dehydrogenase G6PD 0.0024
2630 Glucose-6-phosphate 1-dehydrogenase zwf 0.0024
679 C-1-tetrahydrofolate synthase, cytoplasmic MTHFD1 0.0024
2305 Isocitrate dehydrogenase [NADP] cytoplasmic IDH1 0.0024
2286 Isocitrate dehydrogenase [NADP] icd 0.0024
2302 Isocitrate dehydrogenase [NADP] icd 0.0024
2771 Isocitrate dehydrogenase [NADP] icd 0.0024
654 Flavin reductase BLVRB 0.0024
139 Aldo-keto reductase family 1 member C1 AKR1C1 0.0023
217 Estradiol 17-beta-dehydrogenase 1 HSD17B1 0.0022
6297 Prostaglandin reductase 1 PTGR1 0.0022
4531 Putative ketoacyl reductase actIII 0.0022
6862 Aldo-keto reductase family 1 member B10 AKR1B10 0.0022
3062 Aspartate-semialdehyde dehydrogenase asd 0.0022
444 Alcohol dehydrogenase 1B ADH1B 0.0022
5325 2,4-dienoyl-CoA reductase, mitochondrial DECR1 0.0021
650 Aldo-keto reductase family 1 member C3 AKR1C3 0.0021
2675 Pteridine reductase 1 PTR1 0.0021
3573 2,4-dienoyl-CoA reductase [NADPH] fadH 0.0021
1124 Sepiapterin reductase SPR 0.0021
904 Glutathione S-transferase P GSTP1 0.0021
2159 Quinone oxidoreductase CRYZ 0.002
822 Aldose reductase AKR1B1 0.0019
631 3-hydroxy-3-methylglutaryl-coenzyme A reductase HMGCR 0.0018
3387 3-hydroxy-3-methylglutaryl-coenzyme A reductase mvaA 0.0018
365 Dihydrofolate reductase DHFR 0.0018
2381 Dihydrofolate reductase DFR1 0.0018
2833 Dihydrofolate reductase Not Available 0.0018
2931 Dihydrofolate reductase folA 0.0018
3544 Dihydrofolate reductase folA 0.0018
3682 Dihydrofolate reductase folA 0.0018
6642 Dihydrofolate reductase folA 0.0018
6756 Dihydrofolate reductase dfrA 0.0018
474 Acetylcholinesterase ACHE 0.0018
3923 Cholinesterase BCHE 0.0015
76 Nitric-oxide synthase, brain NOS1 0.0014
4120 NADPH--cytochrome P450 reductase POR 0.0013
579 Alcohol dehydrogenase class 4 mu/sigma chain ADH7 0.0008
792 Aldehyde dehydrogenase, dimeric NADP-preferring ALDH3A1 0.0008
316 4-trimethylaminobutyraldehyde dehydrogenase ALDH9A1 0.0008
816 Biliverdin reductase A BLVRA 0.0008
350 3-hydroxyacyl-CoA dehydrogenase type-2 HSD17B10 0.0008
178 NADH-cytochrome b5 reductase 3 CYB5R3 0.0008
812 Dihydrolipoyl dehydrogenase, mitochondrial DLD 0.0008
454 Peroxisomal multifunctional enzyme type 2 HSD17B4 0.0008
396 Alcohol dehydrogenase 4 ADH4 0.0008
328 Sorbitol dehydrogenase SORD 0.0008
363 NADP-dependent malic enzyme, mitochondrial ME3 0.0008
857 Malate dehydrogenase, mitochondrial MDH2 0.0008
839 Short-chain specific acyl-CoA dehydrogenase, mitochondrial ACADS 0.0008
74 Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex, mitochondrial DLAT 0.0008
419 Hydroxyacyl-coenzyme A dehydrogenase, mitochondrial HADH 0.0008
77 L-lactate dehydrogenase B chain LDHB 0.0008
12 Alcohol dehydrogenase class 3 ADH5 0.0008
599 Glyceraldehyde-3-phosphate dehydrogenase GAPDH 0.0007
4426 Glyceraldehyde-3-phosphate dehydrogenase gap 0.0007
4454 Glyceraldehyde-3-phosphate dehydrogenase gap 0.0007
4489 Glyceraldehyde-3-phosphate dehydrogenase gap 0.0007
473 L-lactate dehydrogenase A chain LDHA 0.0007
794 Glyceraldehyde-3-phosphate dehydrogenase, testis-specific GAPDHS 0.0007
607 NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 2 NDUFA2 0.0007
374 NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 1 NDUFB1 0.0007
555 NADH dehydrogenase [ubiquinone] iron-sulfur protein 4, mitochondrial NDUFS4 0.0007
446 NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 7 NDUFA7 0.0007
104 NADH dehydrogenase [ubiquinone] iron-sulfur protein 6, mitochondrial NDUFS6 0.0007
247 NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 1 NDUFA1 0.0007
343 NADH dehydrogenase [ubiquinone] 1 subunit C1, mitochondrial NDUFC1 0.0007
190 NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 4 NDUFA4 0.0007
755 NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 3 NDUFA3 0.0007
353 NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 4-like 2 NDUFA4L2 0.0007
609 15-hydroxyprostaglandin dehydrogenase [NAD+] HPGD 0.0007
272 NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 10 NDUFB10 0.0007
313 NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 3 NDUFB3 0.0007
384 NADH-ubiquinone oxidoreductase chain 6 MT-ND6 0.0007
300 NADH-ubiquinone oxidoreductase chain 4L MT-ND4L 0.0007
206 3-keto-steroid reductase HSD17B7 0.0007
475 NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 2, mitochondrial NDUFB2 0.0007
99 NADH dehydrogenase [ubiquinone] iron-sulfur protein 5 NDUFS5 0.0007
270 NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 5, mitochondrial NDUFB5 0.0007
30 NADH dehydrogenase [ubiquinone] flavoprotein 3, mitochondrial NDUFV3 0.0007
372 Estradiol 17-beta-dehydrogenase 3 HSD17B3 0.0007
525 NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 5 NDUFA5 0.0007
219 NADH-ubiquinone oxidoreductase chain 3 MT-ND3 0.0007
141 3-hydroxyisobutyrate dehydrogenase, mitochondrial HIBADH 0.0007
236 NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 6 NDUFA6 0.0007
417 NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 6 NDUFB6 0.0007
324 NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 4 NDUFB4 0.0007
335 NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 9, mitochondrial NDUFA9 0.0007
568 NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 7 NDUFB7 0.0007
598 NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 11 NDUFA11 0.0007
152 NADH dehydrogenase [ubiquinone] flavoprotein 2, mitochondrial NDUFV2 0.0007
582 NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 13 NDUFA13 0.0007
829 NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 12 NDUFA12 0.0007
145 Corticosteroid 11-beta-dehydrogenase isozyme 2 HSD11B2 0.0007
602 Acyl carrier protein, mitochondrial NDUFAB1 0.0007
107 C-4 methylsterol oxidase SC4MOL 0.0007
405 NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 8 NDUFA8 0.0007
656 NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 9 NDUFB9 0.0007
729 GDP-L-fucose synthetase TSTA3 0.0007
3463 GDP-L-fucose synthetase fcl 0.0007
746 NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 8, mitochondrial NDUFB8 0.0007
167 L-lactate dehydrogenase C chain LDHC 0.0007
326 L-lactate dehydrogenase A-like 6A LDHAL6A 0.0007
180 D-3-phosphoglycerate dehydrogenase PHGDH 0.0007
3726 D-3-phosphoglycerate dehydrogenase serA 0.0007
4291 D-3-phosphoglycerate dehydrogenase serA 0.0007
721 NADH-ubiquinone oxidoreductase chain 2 MT-ND2 0.0007
231 Glycerol-3-phosphate dehydrogenase [NAD+], cytoplasmic GPD1 0.0007
271 Delta-1-pyrroline-5-carboxylate dehydrogenase, mitochondrial ALDH4A1 0.0007
14 Isocitrate dehydrogenase [NAD] subunit alpha, mitochondrial IDH3A 0.0007
50 Sterol-4-alpha-carboxylate 3-dehydrogenase, decarboxylating NSDHL 0.0007
41 NADH dehydrogenase [ubiquinone] iron-sulfur protein 8, mitochondrial NDUFS8 0.0007
112 L-lactate dehydrogenase A-like 6B LDHAL6B 0.0007
216 Aldehyde dehydrogenase 3B2 ALDH3B2 0.0007
616 Isocitrate dehydrogenase [NAD] subunit beta, mitochondrial IDH3B 0.0007
9 Estradiol 17-beta-dehydrogenase 2 HSD17B2 0.0007
628 Pyruvate dehydrogenase E1 component alpha subunit, somatic form, mitochondrial PDHA1 0.0007
848 Isocitrate dehydrogenase [NAD] subunit gamma, mitochondrial IDH3G 0.0007
644 Heme oxygenase 2 HMOX2 0.0007
4982 Heme oxygenase 2 pbsA2 0.0007
91 NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 10, mitochondrial NDUFA10 0.0007
608 NADH-ubiquinone oxidoreductase chain 4 MT-ND4 0.0007
539 NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial NDUFV1 0.0007
496 Aldehyde dehydrogenase 3B1 ALDH3B1 0.0007
34 7-dehydrocholesterol reductase DHCR7 0.0007
662 Fatty aldehyde dehydrogenase ALDH3A2 0.0007
711 UDP-glucose 6-dehydrogenase UGDH 0.0007
3672 UDP-glucose 6-dehydrogenase hasB 0.0007
149 Alpha-aminoadipic semialdehyde dehydrogenase ALDH7A1 0.0007
531 Aldehyde dehydrogenase X, mitochondrial ALDH1B1 0.0007
258 Methylmalonate-semialdehyde dehydrogenase [acylating], mitochondrial ALDH6A1 0.0007
487 Aldo-keto reductase family 1 member C4 AKR1C4 0.0007
637 NADH-ubiquinone oxidoreductase chain 5 MT-ND5 0.0007
196 D-beta-hydroxybutyrate dehydrogenase, mitochondrial BDH1 0.0007
671 Pyruvate dehydrogenase E1 component alpha subunit, testis-specific form, mitochondrial PDHA2 0.0007
643 Peroxisomal bifunctional enzyme EHHADH 0.0007
548 NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial NDUFS1 0.0007
288 Trifunctional enzyme subunit alpha, mitochondrial HADHA 0.0007
393 GDH/6PGL endoplasmic bifunctional protein [Includes: Glucose 1-dehydrogenase H6PD 0.0007
166 NAD-dependent malic enzyme, mitochondrial ME2 0.0007
83 Alpha-aminoadipic semialdehyde synthase, mitochondrial AASS 0.0007
830 Glutamate dehydrogenase 2, mitochondrial GLUD2 0.0007
13 Aminomethyltransferase, mitochondrial AMT 0.0007
810 Heme oxygenase 1 HMOX1 0.0006
3391 Heme oxygenase 1 pbsA1 0.0006
201 Glutamate dehydrogenase 1, mitochondrial GLUD1 0.0006
796 Inosine-5'-monophosphate dehydrogenase 2 IMPDH2 0.0006
251 Alcohol dehydrogenase 1A ADH1A 0.0006
66 3 beta-hydroxysteroid dehydrogenase/Delta 5-->4-isomerase type II HSD3B2 0.0006
611 Retinal dehydrogenase 1 ALDH1A1 0.0006
296 Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial MTHFD2 0.0006
337 NADH dehydrogenase [ubiquinone] iron-sulfur protein 7, mitochondrial NDUFS7 0.0006
194 NADH dehydrogenase [ubiquinone] 1 subunit C2 NDUFC2 0.0006
803 NADH dehydrogenase [ubiquinone] iron-sulfur protein 2, mitochondrial NDUFS2 0.0006
214 NADH dehydrogenase [ubiquinone] iron-sulfur protein 3, mitochondrial NDUFS3 0.0006
6026 Alcohol dehydrogenase 6 ADH6 0.0006
248 Pyrroline-5-carboxylate reductase 1 PYCR1 0.0006
802 Pyrroline-5-carboxylate reductase 2 PYCR2 0.0006
627 11-cis retinol dehydrogenase RDH5 0.0006
640 Aldehyde dehydrogenase 1A3 ALDH1A3 0.0006
569 Retinal dehydrogenase 2 ALDH1A2 0.0006
110 Pyruvate dehydrogenase E1 component subunit beta, mitochondrial PDHB 0.0006
182 2-oxoglutarate dehydrogenase E1 component, mitochondrial OGDH 0.0006
626 Cysteine dioxygenase type 1 CDO1 0.0006
243 Ribosyldihydronicotinamide dehydrogenase [quinone] NQO2 0.0006
57 3 beta-hydroxysteroid dehydrogenase/Delta 5-->4-isomerase type I HSD3B1 0.0006
714 Glutathione reductase, mitochondrial GSR 0.0006
380 Cytochrome P450 17A1 CYP17A1 0.0006
838 Inosine-5'-monophosphate dehydrogenase 1 IMPDH1 0.0006
517 Alcohol dehydrogenase 1C ADH1C 0.0006
279 Tyrosinase TYR 0.0005
147 Aldehyde dehydrogenase, mitochondrial ALDH2 0.0005
170 Succinate semialdehyde dehydrogenase, mitochondrial ALDH5A1 0.0005
559 NADH-ubiquinone oxidoreductase chain 1 MT-ND1 0.0005
468 Cytochrome P450 4A11 CYP4A11 0.0005
6020 Aldehyde oxidase AOX1 0.0004
3947 Xanthine dehydrogenase/oxidase XDH 0.0004
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