DT-Web

DB02395 - 3-Hydroxymethyl-5-Aziridinyl-1methyl-2-[1h-Indole-4,7-Dione]-Propanol


Identification
Name 3-Hydroxymethyl-5-Aziridinyl-1methyl-2-[1h-Indole-4,7-Dione]-Propanol
Accession Number DB02395 (EXPT01312)
Type small molecule
Description Not Available
Structure
MOL SDF PDB SMILES InChI
Categories (*)
Molecular Weight 290.3144
Groups experimental
Monoisotopic Weight 290.126657074
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


NAD(P)H dehydrogenase [quinone] 1
Name NAD(P)H dehydrogenase [quinone] 1
Gene Name NQO1
Pharmacological action unknown
Actions Not Available
References
  • Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. - Pubmed
  • Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. - Pubmed
DTHybrid score 0.7307

Predictions


Id Partner name Gene Name Score
904 Glutathione S-transferase P GSTP1 0.0544
4407 FMN-dependent NADH-azoreductase azoR 0.045
5169 FMN-dependent NADH-azoreductase azoR 0.045
2936 Oxygen-insensitive NAD(P)H nitroreductase nfnB 0.036
5184 Oxygen-insensitive NAD(P)H nitroreductase nfnB 0.036
2159 Quinone oxidoreductase CRYZ 0.0297
787 Vitamin K epoxide reductase complex subunit 1 VKORC1 0.0252
4152 Superoxide dismutase [Cu-Zn] SOD1 0.0206
6163 Copper-transporting ATPase 2 ATP7B 0.0164
6165 Copper-transporting ATPase 1 ATP7A 0.0164
6146 High affinity copper uptake protein 1 SLC31A1 0.0154
3947 Xanthine dehydrogenase/oxidase XDH 0.0147
908 Glutathione S-transferase theta-1 GSTT1 0.0146
896 Glutathione S-transferase Mu 1 GSTM1 0.0144
6161 Probable low affinity copper uptake protein 2 SLC31A2 0.0121
1757 Myeloperoxidase MPO 0.012
4757 Cytochrome P450 2C9 CYP2C9 0.0115
1732 ATP-binding cassette sub-family G member 2 ABCG2 0.0109
1735 Canalicular multispecific organic anion transporter 1 ABCC2 0.0108
400 Coagulation factor IX F9 0.0068
5461 Coagulation factor IX F9 0.0068
4081 Vitamin K epoxide reductase complex subunit 1-like protein 1 VKORC1L1 0.0064
604 Vitamin K-dependent protein Z PROZ 0.0064
4076 Diacylglycerol kinase alpha DGKA 0.0063
4077 Serine/threonine-protein phosphatase 2A catalytic subunit beta isoform PPP2CB 0.0063
375 SEC14-like protein 3 SEC14L3 0.0063
86 SEC14-like protein 4 SEC14L4 0.0063
708 Alpha-tocopherol transfer protein TTPA 0.0063
283 SEC14-like protein 2 SEC14L2 0.0062
4078 Serine/threonine-protein phosphatase 2A catalytic subunit alpha isoform PPP2CA 0.006
997 Protein kinase C beta type PRKCB 0.006
6137 Multidrug resistance-associated protein 6 ABCC6 0.0059
1245 Vitamin K-dependent protein S PROS1 0.0057
422 Vitamin K-dependent protein C PROC 0.0057
1898 Cytochrome P450 1B1 CYP1B1 0.0055
243 Ribosyldihydronicotinamide dehydrogenase [quinone] NQO2 0.0054
1970 Protein kinase C alpha type PRKCA 0.0054
905 Glutathione transferase omega-1 GSTO1 0.0053
899 Glutathione S-transferase Mu 3 GSTM3 0.0053
798 Osteocalcin BGLAP 0.0052
6144 Solute carrier family 22 member 2 SLC22A2 0.0052
6024 Cytochrome P450 1A1 CYP1A1 0.0051
448 Vitamin K-dependent gamma-carboxylase GGCX 0.005
810 Heme oxygenase 1 HMOX1 0.005
3391 Heme oxygenase 1 pbsA1 0.005
1709 Canalicular multispecific organic anion transporter 2 ABCC3 0.005
6013 Cytochrome P450 2E1 CYP2E1 0.0049
369 Coagulation factor VII F7 0.0048
186 Glutamate--cysteine ligase catalytic subunit GCLC 0.0048
6172 ATP-binding cassette sub-family B member 8, mitochondrial ABCB8 0.0045
4200 Cytochrome P450 1A2 CYP1A2 0.0043
1284 Nuclear receptor subfamily 1 group I member 2 NR1I2 0.0042
3932 Glutathione S-transferase A2 GSTA2 0.0041
76 Nitric-oxide synthase, brain NOS1 0.0039
6861 Alcohol dehydrogenase [NADP+] AKR1A1 0.0039
4120 NADPH--cytochrome P450 reductase POR 0.0039
275 Arachidonate 5-lipoxygenase ALOX5 0.0038
337 NADH dehydrogenase [ubiquinone] iron-sulfur protein 7, mitochondrial NDUFS7 0.0038
214 NADH dehydrogenase [ubiquinone] iron-sulfur protein 3, mitochondrial NDUFS3 0.0038
803 NADH dehydrogenase [ubiquinone] iron-sulfur protein 2, mitochondrial NDUFS2 0.0038
6030 Cytochrome P450 2B6 CYP2B6 0.0038
6168 Solute carrier family 22 member 16 SLC22A16 0.0037
3917 Methylenetetrahydrofolate reductase MTHFR 0.0037
239 Coagulation factor X F10 0.0037
6020 Aldehyde oxidase AOX1 0.0035
6147 Solute carrier family 22 member 3 SLC22A3 0.0034
5251 Carbonyl reductase [NADPH] 1 CBR1 0.0033
650 Aldo-keto reductase family 1 member C3 AKR1C3 0.0033
1588 Multidrug resistance protein 1 ABCB1 0.0032
468 Cytochrome P450 4A11 CYP4A11 0.0032
54 Prothrombin F2 0.0031
6136 Multidrug resistance-associated protein 5 ABCC5 0.0029
6145 Solute carrier family 22 member 1 SLC22A1 0.0028
7 Nitric oxide synthase, inducible NOS2 0.0027
291 Nitric-oxide synthase, endothelial NOS3 0.0026
5718 Cytochrome P450 2A6 CYP2A6 0.0026
6148 Multidrug resistance-associated protein 7 ABCC10 0.0025
3923 Cholinesterase BCHE 0.0024
817 DNA topoisomerase 2-alpha TOP2A 0.0024
290 Prostaglandin G/H synthase 2 PTGS2 0.0023
776 Bile salt export pump ABCB11 0.0022
862 Multidrug resistance-associated protein 1 ABCC1 0.002
5122 Mersacidin decarboxylase mrsD 0.0019
5114 Putative acyl-CoA dehydrogenase TT_C0779 0.0019
5095 Putidaredoxin reductase camA 0.0019
3763 5,10-methylenetetrahydrofolate reductase metF 0.0019
3918 5,10-methylenetetrahydrofolate reductase MTHFR 0.0019
5094 5,10-methylenetetrahydrofolate reductase metF 0.0019
526 Thioredoxin reductase trxB 0.0019
3767 Thioredoxin reductase trxB 0.0019
5078 Amine oxidase, flavin-containing PSPTO1126 0.0019
5112 Benzoate 1,2-dioxygenase electron transfer component benC 0.0019
5109 Outer membrane protein p64k or PM-6 m-6 0.0019
5115 FkbI fkbI 0.0019
5083 Cryptochrome DASH cry 0.0019
5100 Gamma-aminobutyrate metabolism dehydratase/isomerase abfD 0.0019
5102 4-cresol dehydrogenase [hydroxylating] flavoprotein subunit pchF 0.0019
5107 Alkyl hydroperoxide reductase subunit F ahpF 0.0019
5118 Alkyl hydroperoxide reductase subunit F ahpF 0.0019
5081 L-aspartate oxidase nadB 0.0019
1410 Oxidoreductase HSD17B6 0.0019
4725 Oxidoreductase Not Available 0.0019
5124 Oxidoreductase Not Available 0.0019
1329 Apoptosis-inducing factor 1, mitochondrial AIFM1 0.0019
3133 UDP-galactopyranose mutase glf 0.0019
5099 UDP-galactopyranose mutase glf 0.0019
5111 Phenylacetone monooxygenase pamO 0.0019
5097 PROBABLE DIHYDROLIPOAMIDE DEHYDROGENASE LPDA lpdA 0.0019
4486 Phenol 2-hydroxylase component B pheA2 0.0018
4477 Dihydrolipoyl dehydrogenase lpdV 0.0018
5077 Dihydrolipoyl dehydrogenase Not Available 0.0018
5117 Dihydrolipoyl dehydrogenase lpd 0.0018
4439 Ferredoxin reductase bphA4 0.0018
5091 UDP-N-acetylenolpyruvoylglucosamine reductase murB 0.0017
5093 UDP-N-acetylenolpyruvoylglucosamine reductase murB 0.0017
2268 Cholesterol oxidase choB 0.0017
2822 Cholesterol oxidase choA 0.0017
5072 N,N-dimethylglycine oxidase dmg 0.0017
5073 Ferredoxin--NADP reductase petH 0.0017
5076 Ferredoxin--NADP reductase fpr 0.0017
5119 Ferredoxin--NADP reductase petH 0.0017
5121 Ferredoxin--NADP reductase fpr 0.0017
5075 Sulfite reductase [NADPH] flavoprotein alpha-component cysJ 0.0017
667 Acyl-CoA dehydrogenase family member 8, mitochondrial ACAD8 0.0017
3594 Deoxyribodipyrimidine photo-lyase phr 0.0017
5079 Deoxyribodipyrimidine photo-lyase phrB 0.0017
5080 Deoxyribodipyrimidine photo-lyase phr 0.0017
2526 NADPH-ferredoxin reductase fprA fprA 0.0017
3506 Glutaryl-CoA dehydrogenase, mitochondrial GCDH 0.0017
440 Isovaleryl-CoA dehydrogenase, mitochondrial IVD 0.0017
5003 Acyl-CoA dehydrogenase, short-chain specific Not Available 0.0017
2470 Pyruvate oxidase pox5 0.0017
6639 Peroxisomal acyl-coenzyme A oxidase 1 ACOX1 0.0017
3247 2-oxopropyl-CoM reductase, carboxylating xecC 0.0017
3102 Flavohemoprotein hmp 0.0016
4969 Flavohemoprotein hmp 0.0016
4440 NADH peroxidase npr 0.0016
3254 Bifunctional protein putA [Includes: Proline dehydrogenase putA 0.0015
3185 Medium-chain specific acyl-CoA dehydrogenase, mitochondrial ACADM 0.0015
2893 Glycine oxidase thiO 0.0015
178 NADH-cytochrome b5 reductase 3 CYB5R3 0.0015
812 Dihydrolipoyl dehydrogenase, mitochondrial DLD 0.0015
327 Glutathione reductase gor 0.0015
5110 Glutathione reductase GR2 0.0015
126 D-lactate dehydrogenase dld 0.0015
3545 D-lactate dehydrogenase Not Available 0.0015
4510 D-lactate dehydrogenase ldhA 0.0015
2567 Thymidylate synthase thyX thyX 0.0015
3573 2,4-dienoyl-CoA reductase [NADPH] fadH 0.0015
2823 Trypanothione reductase TPR 0.0015
605 Fumarate reductase flavoprotein subunit frdA 0.0014
2709 Fumarate reductase flavoprotein subunit SO_0970 0.0014
3673 Fumarate reductase flavoprotein subunit fccA 0.0014
4912 Fumarate reductase flavoprotein subunit ifcA 0.0014
6549 Fumarate reductase flavoprotein subunit frdA 0.0014
4119 Cytochrome P450 2D6 CYP2D6 0.0014
839 Short-chain specific acyl-CoA dehydrogenase, mitochondrial ACADS 0.0014
2769 P-hydroxybenzoate hydroxylase pobA 0.0014
2809 P-hydroxybenzoate hydroxylase pobA 0.0014
2380 Monomeric sarcosine oxidase soxA 0.0013
3610 Thioredoxin reductase 1, cytoplasmic TXNRD1 0.0013
4512 Cytochrome P450 3A4 CYP3A4 0.0013
6645 D-amino-acid oxidase DAO 0.0013
1302 Dihydropyrimidine dehydrogenase [NADP+] DPYD 0.0012
714 Glutathione reductase, mitochondrial GSR 0.0011
3939 Amine oxidase [flavin-containing] B MAOB 0.0008
3941 Amine oxidase [flavin-containing] A MAOA 0.0008
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