Molecule Details
| InChIKey | ANTSCNMPPGJYLG-UHFFFAOYSA-N |
|---|---|
| Canonical SMILES | CNC1=Nc2ccc(Cl)cc2C(c2ccccc2)=[N+]([O-])C1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 7 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.39 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB00475 |
|---|---|
| Drug Name | Chlordiazepoxide |
| CAS Number | 58-25-3 |
| Groups | approved illicit |
| ATC Codes | N05BA02 |
| Description | An anxiolytic benzodiazepine derivative with anticonvulsant, sedative, and amnesic properties. It has also been used in the symptomatic treatment of alcohol withdrawal. |
Categories: Adjuvants, Anesthesia Anti-Anxiety Agents Benzazepines Benzodiazepines and benzodiazepine derivatives Central Nervous System Agents Central Nervous System Depressants Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 CYP3A4 Substrates (strength unknown) Cytochrome P-450 Substrates Cytosine Nucleotides GABA Agents GABA Modulators Heterocyclic Compounds, Fused-Ring Hypnotics and Sedatives Nervous System Neurotransmitter Agents Nucleic Acids, Nucleotides, and Nucleosides Nucleotides Psycholeptics Psychotropic Drugs Pyrimidine Nucleotides Pyrimidines Ribonucleotides Tranquilizing Agents
Cross-references: BindingDB: 50007664 ChEBI: 3611 CHEMBL451 ChemSpider: 10248513 Drugs Product Database (DPD): 10260 D00267 PharmGKB: PA448932 PubChem:2712 PubChem:46505044 RxCUI: 2356 Therapeutic Targets Database: DAP000084 Wikipedia: Chlordiazepoxide ZINC: ZINC000019632917
Target Activities (7)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P35367 | HRH1 | Homo sapiens | Human | PF00001 | 6.7 | Ki | ChEMBL |
| P31644 | GABRA5 | Homo sapiens | Human | PF02931 PF02932 | 6.4 | Ki | ChEMBL;BindingDB |
| P47869 | GABRA2 | Homo sapiens | Human | PF02931 PF02932 | 6.4 | Ki | ChEMBL;BindingDB |
| P18507 | GABRG2 | Homo sapiens | Human | PF02931 PF02932 | 6.3 | Ki | ChEMBL |
| P28472 | GABRB3 | Homo sapiens | Human | PF02931 PF02932 | 6.3 | Ki | ChEMBL |
| P34903 | GABRA3 | Homo sapiens | Human | PF02931 PF02932 | 6.3 | Ki | ChEMBL;BindingDB |
| P14867 | GABRA1 | Homo sapiens | Human | PF02931 PF02932 | 6.2 | Ki | ChEMBL;BindingDB |