DT-Web

DB07700 - 3-CARBOXAMIDO-1,3,5(10)-ESTRATRIEN-17(R)-SPIRO-2'(5',5'-DIMETHYL-6'OXO)TETRAHYDROPYRAN


Identification
Name 3-CARBOXAMIDO-1,3,5(10)-ESTRATRIEN-17(R)-SPIRO-2'(5',5'-DIMETHYL-6'OXO)TETRAHYDROPYRAN
Accession Number DB07700
Type small molecule
Description Not Available
Structure
MOL SDF PDB SMILES InChI
Categories (*)
Molecular Weight 395.5344
Groups experimental
Monoisotopic Weight 395.246043927
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


Aldo-keto reductase family 1 member C3
Name Aldo-keto reductase family 1 member C3
Gene Name AKR1C3
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 0.521

Predictions


Id Partner name Gene Name Score
2972 6-deoxyerythronolide B hydroxylase eryF 0.0464
217 Estradiol 17-beta-dehydrogenase 1 HSD17B1 0.0418
57 3 beta-hydroxysteroid dehydrogenase/Delta 5-->4-isomerase type I HSD3B1 0.04
4131 Prostaglandin E2 receptor, EP3 subtype PTGER3 0.0386
672 Prostaglandin F2-alpha receptor PTGFR 0.0371
73 Prostaglandin E2 receptor, EP1 subtype PTGER1 0.0335
373 Transthyretin TTR 0.0181
146 Androgen receptor AR 0.0176
4119 Cytochrome P450 2D6 CYP2D6 0.0145
290 Prostaglandin G/H synthase 2 PTGS2 0.0141
4924 Cytochrome P450 2C8 CYP2C8 0.0136
20 Prostaglandin G/H synthase 1 PTGS1 0.0133
4512 Cytochrome P450 3A4 CYP3A4 0.0131
4757 Cytochrome P450 2C9 CYP2C9 0.0124
1729 Solute carrier family 22 member 6 SLC22A6 0.0124
6861 Alcohol dehydrogenase [NADP+] AKR1A1 0.0105
337 NADH dehydrogenase [ubiquinone] iron-sulfur protein 7, mitochondrial NDUFS7 0.0076
803 NADH dehydrogenase [ubiquinone] iron-sulfur protein 2, mitochondrial NDUFS2 0.0075
214 NADH dehydrogenase [ubiquinone] iron-sulfur protein 3, mitochondrial NDUFS3 0.0075
6172 ATP-binding cassette sub-family B member 8, mitochondrial ABCB8 0.0072
76 Nitric-oxide synthase, brain NOS1 0.0069
4120 NADPH--cytochrome P450 reductase POR 0.0068
6168 Solute carrier family 22 member 16 SLC22A16 0.006
5251 Carbonyl reductase [NADPH] 1 CBR1 0.0053
646 Malate dehydrogenase, cytoplasmic MDH1 0.0048
635 Estradiol 17-beta-dehydrogenase 8 HSD17B8 0.0047
666 NADP-dependent malic enzyme ME1 0.0047
686 Aldo-keto reductase family 1 member C2 AKR1C2 0.0047
2157 NAD(P)H dehydrogenase [quinone] 1 NQO1 0.0046
3947 Xanthine dehydrogenase/oxidase XDH 0.0046
11 NAD(P) transhydrogenase, mitochondrial NNT 0.0045
5346 Oxidoreductase, aldo/keto reductase family TM_1009 0.0043
4403 Protein iolS iolS 0.0043
5330 General stress protein 69 yhdN 0.0043
5322 Oxidoreductase ydhF ydhF 0.0043
5333 Alcohol dehydrogenase, iron-containing TM_0920 0.0043
5326 Oxidoreductase, short chain dehydrogenase/reductase family TM_0441 0.0043
5157 Dehydrogenase/reductase SDR family member 11 DHRS11 0.0043
5332 MtdA bifunctional protein mtdA 0.0043
5342 NADH-dependent butanol dehydrogenase, putative TM_0820 0.0043
3772 3-oxoacyl-[acyl-carrier-protein] reductase fabG 0.0043
3778 NAD(P) transhydrogenase subunit beta pntB 0.0043
5343 NADP-dependent fatty aldehyde dehydrogenase aldH 0.0043
6137 Multidrug resistance-associated protein 6 ABCC6 0.0043
139 Aldo-keto reductase family 1 member C1 AKR1C1 0.0042
7 Nitric oxide synthase, inducible NOS2 0.0042
291 Nitric-oxide synthase, endothelial NOS3 0.0041
4484 2,5-diketo-D-gluconic acid reductase A dkgA 0.0041
6148 Multidrug resistance-associated protein 7 ABCC10 0.0041
679 C-1-tetrahydrofolate synthase, cytoplasmic MTHFD1 0.0039
817 DNA topoisomerase 2-alpha TOP2A 0.0038
2375 ADP-L-glycero-D-manno-heptose-6-epimerase hldD 0.0038
654 Flavin reductase BLVRB 0.0038
5073 Ferredoxin--NADP reductase petH 0.0038
5076 Ferredoxin--NADP reductase fpr 0.0038
5119 Ferredoxin--NADP reductase petH 0.0038
5121 Ferredoxin--NADP reductase fpr 0.0038
5075 Sulfite reductase [NADPH] flavoprotein alpha-component cysJ 0.0038
4582 Putative pteridine reductase 2 ptr2 0.0037
4628 NADP-dependent glyceraldehyde-3-phosphate dehydrogenase gapN 0.0037
989 L-xylulose reductase DCXR 0.0037
5328 Prostaglandin F synthase Tb11.02.2310 0.0037
2305 Isocitrate dehydrogenase [NADP] cytoplasmic IDH1 0.0037
2636 Shikimate dehydrogenase aroE 0.0037
3515 Shikimate dehydrogenase aroE 0.0037
3446 NADP-dependent alcohol dehydrogenase adh 0.0037
2286 Isocitrate dehydrogenase [NADP] icd 0.0037
2302 Isocitrate dehydrogenase [NADP] icd 0.0037
2771 Isocitrate dehydrogenase [NADP] icd 0.0037
1799 Glucose-6-phosphate 1-dehydrogenase G6PD 0.0037
2630 Glucose-6-phosphate 1-dehydrogenase zwf 0.0037
1709 Canalicular multispecific organic anion transporter 2 ABCC3 0.0036
776 Bile salt export pump ABCB11 0.0036
1898 Cytochrome P450 1B1 CYP1B1 0.0035
444 Alcohol dehydrogenase 1B ADH1B 0.0035
6862 Aldo-keto reductase family 1 member B10 AKR1B10 0.0034
6297 Prostaglandin reductase 1 PTGR1 0.0034
4531 Putative ketoacyl reductase actIII 0.0034
3062 Aspartate-semialdehyde dehydrogenase asd 0.0034
5325 2,4-dienoyl-CoA reductase, mitochondrial DECR1 0.0034
862 Multidrug resistance-associated protein 1 ABCC1 0.0033
2675 Pteridine reductase 1 PTR1 0.0032
2159 Quinone oxidoreductase CRYZ 0.0032
3573 2,4-dienoyl-CoA reductase [NADPH] fadH 0.0032
364 Corticosteroid 11-beta-dehydrogenase isozyme 1 HSD11B1 0.0032
1124 Sepiapterin reductase SPR 0.0032
631 3-hydroxy-3-methylglutaryl-coenzyme A reductase HMGCR 0.003
3387 3-hydroxy-3-methylglutaryl-coenzyme A reductase mvaA 0.003
1732 ATP-binding cassette sub-family G member 2 ABCG2 0.003
1735 Canalicular multispecific organic anion transporter 1 ABCC2 0.003
822 Aldose reductase AKR1B1 0.003
365 Dihydrofolate reductase DHFR 0.0028
2381 Dihydrofolate reductase DFR1 0.0028
2833 Dihydrofolate reductase Not Available 0.0028
2931 Dihydrofolate reductase folA 0.0028
3544 Dihydrofolate reductase folA 0.0028
3682 Dihydrofolate reductase folA 0.0028
6642 Dihydrofolate reductase folA 0.0028
6756 Dihydrofolate reductase dfrA 0.0028
6030 Cytochrome P450 2B6 CYP2B6 0.0027
1588 Multidrug resistance protein 1 ABCB1 0.0023
487 Aldo-keto reductase family 1 member C4 AKR1C4 0.0016
816 Biliverdin reductase A BLVRA 0.0015
792 Aldehyde dehydrogenase, dimeric NADP-preferring ALDH3A1 0.0015
579 Alcohol dehydrogenase class 4 mu/sigma chain ADH7 0.0015
316 4-trimethylaminobutyraldehyde dehydrogenase ALDH9A1 0.0015
190 NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 4 NDUFA4 0.0014
607 NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 2 NDUFA2 0.0014
300 NADH-ubiquinone oxidoreductase chain 4L MT-ND4L 0.0014
374 NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 1 NDUFB1 0.0014
99 NADH dehydrogenase [ubiquinone] iron-sulfur protein 5 NDUFS5 0.0014
446 NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 7 NDUFA7 0.0014
525 NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 5 NDUFA5 0.0014
247 NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 1 NDUFA1 0.0014
417 NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 6 NDUFB6 0.0014
324 NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 4 NDUFB4 0.0014
343 NADH dehydrogenase [ubiquinone] 1 subunit C1, mitochondrial NDUFC1 0.0014
755 NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 3 NDUFA3 0.0014
353 NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 4-like 2 NDUFA4L2 0.0014
313 NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 3 NDUFB3 0.0014
384 NADH-ubiquinone oxidoreductase chain 6 MT-ND6 0.0014
656 NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 9 NDUFB9 0.0014
475 NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 2, mitochondrial NDUFB2 0.0014
270 NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 5, mitochondrial NDUFB5 0.0014
30 NADH dehydrogenase [ubiquinone] flavoprotein 3, mitochondrial NDUFV3 0.0014
219 NADH-ubiquinone oxidoreductase chain 3 MT-ND3 0.0014
41 NADH dehydrogenase [ubiquinone] iron-sulfur protein 8, mitochondrial NDUFS8 0.0014
104 NADH dehydrogenase [ubiquinone] iron-sulfur protein 6, mitochondrial NDUFS6 0.0014
236 NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 6 NDUFA6 0.0014
568 NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 7 NDUFB7 0.0014
598 NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 11 NDUFA11 0.0014
152 NADH dehydrogenase [ubiquinone] flavoprotein 2, mitochondrial NDUFV2 0.0014
582 NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 13 NDUFA13 0.0014
829 NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 12 NDUFA12 0.0014
609 15-hydroxyprostaglandin dehydrogenase [NAD+] HPGD 0.0014
602 Acyl carrier protein, mitochondrial NDUFAB1 0.0014
405 NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 8 NDUFA8 0.0014
272 NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 10 NDUFB10 0.0014
372 Estradiol 17-beta-dehydrogenase 3 HSD17B3 0.0014
555 NADH dehydrogenase [ubiquinone] iron-sulfur protein 4, mitochondrial NDUFS4 0.0014
644 Heme oxygenase 2 HMOX2 0.0014
4982 Heme oxygenase 2 pbsA2 0.0014
729 GDP-L-fucose synthetase TSTA3 0.0014
3463 GDP-L-fucose synthetase fcl 0.0014
746 NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 8, mitochondrial NDUFB8 0.0014
326 L-lactate dehydrogenase A-like 6A LDHAL6A 0.0014
141 3-hydroxyisobutyrate dehydrogenase, mitochondrial HIBADH 0.0014
206 3-keto-steroid reductase HSD17B7 0.0014
721 NADH-ubiquinone oxidoreductase chain 2 MT-ND2 0.0014
231 Glycerol-3-phosphate dehydrogenase [NAD+], cytoplasmic GPD1 0.0014
335 NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 9, mitochondrial NDUFA9 0.0014
9 Estradiol 17-beta-dehydrogenase 2 HSD17B2 0.0014
671 Pyruvate dehydrogenase E1 component alpha subunit, testis-specific form, mitochondrial PDHA2 0.0014
628 Pyruvate dehydrogenase E1 component alpha subunit, somatic form, mitochondrial PDHA1 0.0014
145 Corticosteroid 11-beta-dehydrogenase isozyme 2 HSD11B2 0.0014
608 NADH-ubiquinone oxidoreductase chain 4 MT-ND4 0.0014
539 NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial NDUFV1 0.0014
14 Isocitrate dehydrogenase [NAD] subunit alpha, mitochondrial IDH3A 0.0014
496 Aldehyde dehydrogenase 3B1 ALDH3B1 0.0014
34 7-dehydrocholesterol reductase DHCR7 0.0014
662 Fatty aldehyde dehydrogenase ALDH3A2 0.0014
711 UDP-glucose 6-dehydrogenase UGDH 0.0014
3672 UDP-glucose 6-dehydrogenase hasB 0.0014
149 Alpha-aminoadipic semialdehyde dehydrogenase ALDH7A1 0.0014
531 Aldehyde dehydrogenase X, mitochondrial ALDH1B1 0.0014
107 C-4 methylsterol oxidase SC4MOL 0.0014
180 D-3-phosphoglycerate dehydrogenase PHGDH 0.0014
3726 D-3-phosphoglycerate dehydrogenase serA 0.0014
4291 D-3-phosphoglycerate dehydrogenase serA 0.0014
258 Methylmalonate-semialdehyde dehydrogenase [acylating], mitochondrial ALDH6A1 0.0014
271 Delta-1-pyrroline-5-carboxylate dehydrogenase, mitochondrial ALDH4A1 0.0014
167 L-lactate dehydrogenase C chain LDHC 0.0014
196 D-beta-hydroxybutyrate dehydrogenase, mitochondrial BDH1 0.0014
91 NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 10, mitochondrial NDUFA10 0.0014
50 Sterol-4-alpha-carboxylate 3-dehydrogenase, decarboxylating NSDHL 0.0014
112 L-lactate dehydrogenase A-like 6B LDHAL6B 0.0014
216 Aldehyde dehydrogenase 3B2 ALDH3B2 0.0014
616 Isocitrate dehydrogenase [NAD] subunit beta, mitochondrial IDH3B 0.0014
848 Isocitrate dehydrogenase [NAD] subunit gamma, mitochondrial IDH3G 0.0014
643 Peroxisomal bifunctional enzyme EHHADH 0.0014
288 Trifunctional enzyme subunit alpha, mitochondrial HADHA 0.0014
637 NADH-ubiquinone oxidoreductase chain 5 MT-ND5 0.0014
393 GDH/6PGL endoplasmic bifunctional protein [Includes: Glucose 1-dehydrogenase H6PD 0.0014
548 NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial NDUFS1 0.0013
350 3-hydroxyacyl-CoA dehydrogenase type-2 HSD17B10 0.0013
178 NADH-cytochrome b5 reductase 3 CYB5R3 0.0013
812 Dihydrolipoyl dehydrogenase, mitochondrial DLD 0.0013
454 Peroxisomal multifunctional enzyme type 2 HSD17B4 0.0013
396 Alcohol dehydrogenase 4 ADH4 0.0013
328 Sorbitol dehydrogenase SORD 0.0013
597 Dihydropteridine reductase QDPR 0.0013
363 NADP-dependent malic enzyme, mitochondrial ME3 0.0013
857 Malate dehydrogenase, mitochondrial MDH2 0.0013
419 Hydroxyacyl-coenzyme A dehydrogenase, mitochondrial HADH 0.0013
839 Short-chain specific acyl-CoA dehydrogenase, mitochondrial ACADS 0.0013
12 Alcohol dehydrogenase class 3 ADH5 0.0013
77 L-lactate dehydrogenase B chain LDHB 0.0012
74 Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex, mitochondrial DLAT 0.0012
599 Glyceraldehyde-3-phosphate dehydrogenase GAPDH 0.0012
4426 Glyceraldehyde-3-phosphate dehydrogenase gap 0.0012
4454 Glyceraldehyde-3-phosphate dehydrogenase gap 0.0012
4489 Glyceraldehyde-3-phosphate dehydrogenase gap 0.0012
830 Glutamate dehydrogenase 2, mitochondrial GLUD2 0.0012
794 Glyceraldehyde-3-phosphate dehydrogenase, testis-specific GAPDHS 0.0012
473 L-lactate dehydrogenase A chain LDHA 0.0012
166 NAD-dependent malic enzyme, mitochondrial ME2 0.0011
13 Aminomethyltransferase, mitochondrial AMT 0.0011
6026 Alcohol dehydrogenase 6 ADH6 0.0011
194 NADH dehydrogenase [ubiquinone] 1 subunit C2 NDUFC2 0.0011
296 Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial MTHFD2 0.0011
66 3 beta-hydroxysteroid dehydrogenase/Delta 5-->4-isomerase type II HSD3B2 0.0011
83 Alpha-aminoadipic semialdehyde synthase, mitochondrial AASS 0.0011
248 Pyrroline-5-carboxylate reductase 1 PYCR1 0.0011
802 Pyrroline-5-carboxylate reductase 2 PYCR2 0.0011
640 Aldehyde dehydrogenase 1A3 ALDH1A3 0.0011
627 11-cis retinol dehydrogenase RDH5 0.0011
110 Pyruvate dehydrogenase E1 component subunit beta, mitochondrial PDHB 0.0011
626 Cysteine dioxygenase type 1 CDO1 0.0011
182 2-oxoglutarate dehydrogenase E1 component, mitochondrial OGDH 0.0011
201 Glutamate dehydrogenase 1, mitochondrial GLUD1 0.0011
569 Retinal dehydrogenase 2 ALDH1A2 0.0011
611 Retinal dehydrogenase 1 ALDH1A1 0.0011
251 Alcohol dehydrogenase 1A ADH1A 0.001
796 Inosine-5'-monophosphate dehydrogenase 2 IMPDH2 0.001
810 Heme oxygenase 1 HMOX1 0.001
3391 Heme oxygenase 1 pbsA1 0.001
838 Inosine-5'-monophosphate dehydrogenase 1 IMPDH1 0.001
279 Tyrosinase TYR 0.001
380 Cytochrome P450 17A1 CYP17A1 0.0009
170 Succinate semialdehyde dehydrogenase, mitochondrial ALDH5A1 0.0009
714 Glutathione reductase, mitochondrial GSR 0.0009
243 Ribosyldihydronicotinamide dehydrogenase [quinone] NQO2 0.0009
147 Aldehyde dehydrogenase, mitochondrial ALDH2 0.0009
517 Alcohol dehydrogenase 1C ADH1C 0.0009
559 NADH-ubiquinone oxidoreductase chain 1 MT-ND1 0.0008
468 Cytochrome P450 4A11 CYP4A11 0.0008
6020 Aldehyde oxidase AOX1 0.0008
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