| General Information of Drug (ID:
DR2179) |
| Drug Name |
Nitrobenzodiazepine
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| Synonyms |
nitrobenzodiazepine; NBDZ |
| Indication |
Discovery agent
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Investigative
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[1]
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| Structure |
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3D MOL
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2D MOL
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| Pharmaceutical Properties |
Molecular Weight |
189.17 |
Topological Polar Surface Area |
70.2 |
| Heavy Atom Count |
14 |
Rotatable Bond Count |
0 |
| Hydrogen Bond Donor Count |
1 |
Hydrogen Bond Acceptor Count |
4 |
| Cross-matching ID |
- PubChem CID
- 25022001
- Formula
- C9H7N3O2
- Canonical SMILES
- C1=CC=C2C(=C1)C=CC(=NN2)[N+](=O)[O-]
- InChI
- 1S/C9H7N3O2/c13-12(14)9-6-5-7-3-1-2-4-8(7)10-11-9/h1-6,10H
- InChIKey
- VMGLACFXZWXTMP-UHFFFAOYSA-N
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| The Metabolic Roadmap of This Drug |
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| The Full List of Drug Metabolites (DM) of This Drug |
| DM Name |
DM ID |
PubChem ID |
Reaction |
DM Level |
REF |
|
7-Amino-benzodiazepine
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DM003998
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Reduction
-
Reduction |
1 |
[4]
,
[3]
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| The Full List of Metabolic Reaction (MR) of This Drug |
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| Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug |
| DME Name |
DME Info |
Species |
Uniprot ID |
EC Number |
REF |
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NADPH-cytochrome P450 reductase (CPR)
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DME0076
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Homo sapiens
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[2]
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Oxygen-insensitive NADPH nitroreductase B (nfsB)
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DME1048
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Escherichia coli
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[3]
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Oxygen-insensitive NADPH nitroreductase B (nfsB)
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DME1048
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Escherichia coli
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[4]
,
[3]
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| References |
| 1 |
Purification, characterization and fine sugar specificity of a N-Acetylgalactosamine specific lectin from Adenia hondala. Glycoconj J. 2018 Dec;35(6):511-523.
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| 2 |
Flavin-containing reductase: new perspective on the detoxification of nitrobenzodiazepine. Expert Opin Drug Metab Toxicol. 2010 Aug;6(8):967-81.
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| 3 |
Structure-based development of bacterial nitroreductase against nitrobenzodiazepine-induced hypnosis. Biochem Pharmacol. 2012 Jun 15;83(12):1690-9.
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| 4 |
Characterization of Escherichia coli nitroreductase NfsB in the metabolism of nitrobenzodiazepines. Biochem Pharmacol. 2009 Jul 1;78(1):96-103.
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