Molecule Details
| InChIKey | DIDRALNGAJEZDV-QHCPKHFHSA-N |
|---|---|
| Compound Name | 4-(5-{[1-(Naphthalene-1-carbonyl)-pyrrolidin-3-ylamino]-methyl}-imidazol-1-ylmethyl)-benzonitrile |
| Canonical SMILES | N#Cc1ccc(Cn2cncc2CN[C@H]2CCN(C(=O)c3cccc4ccccc34)C2)cc1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.08 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P49354 | FNTA | Homo sapiens | Human | PF01239 | 8.0 | pIC50 | TTD_MultiTarget |
| P49356 | FNTB | Homo sapiens | Human | PF00432 | 7.2 | IC50 | ChEMBL;BindingDB |
| P53609 | PGGT1B | Homo sapiens | Human | PF00432 | 6.1 | IC50 | ChEMBL;BindingDB |
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | Clinical | TTD_MultiTarget | TTD_MultiTarget |