Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D07ZHV
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| Former ID |
DNC003347
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| Drug Name |
CB1954
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| Synonyms |
Tretazicar; CB 1954; 21919-05-1; CB1954; 5-(1-Aziridinyl)-2,4-dinitrobenzamide; 5-Aziridino-2,4-dinitrobenzamide; CB-1954; 5-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDE; 5-Aziridinyl-2,4-dinitrobenzamide; Tretazicar [INN]; 2,4-Dinitroethyleneiminobenzamide; 2,4-Dinitro-5-ethyleneiminobenzamide; CHEMBL23330; CCRIS 1631; UNII-7865D5D01M; NSC 115829; 7865D5D01M; BRN 5825582; Benzamide,5-(1-aziridinyl)-2,4-dinitro-; Benzamide, 5-(1-aziridinyl)-2,4-dinitro-; CB1; C9H8N4O5; SMR000326847; aziridine dinitrobenzamide; CB1954(Tretazicar); AC1Q1YAR
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| Drug Type |
Small molecular drug
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| Indication | Solid tumour/cancer [ICD-11: 2A00-2F9Z; ICD-10: C76-C80; ICD-9: 140-229] | Discontinued in Phase 2 | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C9H8N4O5
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| Canonical SMILES |
C1CN1C2=C(C=C(C(=C2)C(=O)N)[N+](=O)[O-])[N+](=O)[O-]
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| InChI |
1S/C9H8N4O5/c10-9(14)5-3-7(11-1-2-11)8(13(17)18)4-6(5)12(15)16/h3-4H,1-2H2,(H2,10,14)
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| InChIKey |
WOCXQMCIOTUMJV-UHFFFAOYSA-N
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| CAS Number |
CAS 21919-05-1
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| PubChem Compound ID | ||||
| PubChem Substance ID |
411933, 822628, 5274718, 6436374, 7886475, 10223498, 11110923, 11404752, 14774371, 17404763, 24278301, 26714457, 44420234, 46500339, 46509068, 47193717, 47662830, 49875678, 50105941, 50105942, 53777306, 57309661, 57334580, 75479679, 85230965, 90341816, 92303533, 103141765, 103191314, 103918267, 104038062, 104398392, 117379122, 121360965, 124749537, 124800452, 124879594, 127316104, 127316105, 127316106, 127316107, 127316108, 127316109, 127316110, 129609567, 135045423, 137016521, 138030325, 160967301, 162816292
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| Interaction between the Drug and Microbe | Top | |||
|---|---|---|---|---|
| The Metabolism of Drug Affected by Studied Microbe(s) | ||||
| The Order in the Taxonomic Hierarchy of the following Microbe(s): Bacillales | ||||
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Studied Microbe: Bacillus
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[2] | |||
| Hierarchy | ||||
| Metabolic Reaction | Azo and nitro reduction | |||
| Description | Tretazicar can be metabolized by Bacillus through azo and nitro reduction. | |||
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Studied Microbe: Listeria welshimeri serovar 6b str. SLCC5334
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[3] | |||
| Hierarchy | ||||
| Metabolic Reaction | Reduction | |||
| Metabolic Effect | Increase activity | |||
| Description | CB1954 can be metabolized by Listeria welshimeri serovar 6b str. SLCC5334 through reduction, which results in the increase of the drug's activity. | |||
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Studied Microbe: Staphylococcus
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[2] | |||
| Hierarchy | ||||
| Metabolic Reaction | Azo and nitro reduction | |||
| Description | Tretazicar can be metabolized by Staphylococcus through azo and nitro reduction. | |||
| The Order in the Taxonomic Hierarchy of the following Microbe(s): Enterobacterales | ||||
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Studied Microbe: Enterobacter
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[2] | |||
| Hierarchy | ||||
| Metabolic Reaction | Azo and nitro reduction | |||
| Description | Tretazicar can be metabolized by Enterobacter through azo and nitro reduction. | |||
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Studied Microbe: Escherichia coli
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[3], [4], [5] | |||
| Hierarchy | ||||
| Microbial Enzyme | Nitroreductase | |||
| Metabolic Effect | Increase activity; Increase toxicity | |||
| Description | CB1954 can be metabolized by the nitroreductase of Escherichia coli, which results in the increase of drug's activity and toxicity. | |||
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Studied Microbe: Escherichia coli Nissle 1917
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[3] | |||
| Hierarchy | ||||
| Metabolic Effect | Increase activity | |||
| Description | Tretazicar can be metabolized by Escherichia coli Nissle 1917, which results in the increase of the drug's activity. | |||
| The Order in the Taxonomic Hierarchy of the following Microbe(s): Mycobacteriales | ||||
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Studied Microbe: Mycobacterium
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[2] | |||
| Hierarchy | ||||
| Metabolic Reaction | Azo and nitro reduction | |||
| Description | Tretazicar can be metabolized by Mycobacterium through azo and nitro reduction. | |||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Quinone reductase 2 (NQO2) | Target Info | Inhibitor | [6] |
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800019051) | |||
| REF 2 | Drug Metabolism by the Host and Gut Microbiota: A Partnership or Rivalry?. Drug Metab Dispos. 2015 Oct;43(10):1499-504. | |||
| REF 3 | Local bacteria affect the efficacy of chemotherapeutic drugs. Sci Rep. 2015 Sep 29;5:14554. | |||
| REF 4 | Gut Reactions: Breaking Down Xenobiotic-Microbiome Interactions. Pharmacol Rev. 2019 Apr;71(2):198-224. | |||
| REF 5 | Pharmacomicrobiomics: exploiting the drug-microbiota interactions in anticancer therapies. Microbiome. 2018 May 22;6(1):92. | |||
| REF 6 | How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6. | |||
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