Molecule Details
| InChIKey | KKKDZZRICRFGSD-UHFFFAOYSA-N |
|---|---|
| Compound Name | 1-Benzylimidazole |
| Canonical SMILES | c1ccc(Cn2ccnc2)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.45 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB04581 |
|---|---|
| Drug Name | 1-benzylimidazole |
| CAS Number | 4238-71-5 |
| Groups | experimental |
| ATC Codes | nan |
| Description | 1-benzylimidazole, an N-imidazole derivative, has been shown to have strong cardiotonic activity. |
Categories: Adrenergic Agents Adrenergic Antagonists Adrenergic alpha-Antagonists Agents that produce hypertension Neurotransmitter Agents
Cross-references: BindingDB: 7887 CHEMBL14192 ChemSpider: 70309 PDB: 1BN PubChem:77918 PubChem:46506844 ZINC: ZINC000000169811
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P11511 | CYP19A1 | Homo sapiens | Human | PF00067 | 6.8 | IC50 | ChEMBL;BindingDB |
| P05177 | CYP1A2 | Homo sapiens | Human | PF00067 | 6.7 | IC50 | ChEMBL |
| Q16769 | QPCT | Homo sapiens | Human | PF04389 | 6.4 | Ki | BindingDB |
| P19099 | CYP11B2 | Homo sapiens | Human | PF00067 | 6.3 | IC50 | ChEMBL;BindingDB |
| P15538 | CYP11B1 | Homo sapiens | Human | PF00067 | 6.2 | IC50 | ChEMBL;BindingDB |
| P24557 | TBXAS1 | Homo sapiens | Human | PF00067 | 6.2 | IC50 | ChEMBL |