Molecule Details
| InChIKey | AZKMTKVSVYHHAA-ONTIZHBOSA-N |
|---|---|
| Compound Name | N-[(2S)-1-[3-[[(1R,2R)-2-[(3-aminopropylamino)methyl]cyclopropyl]methylamino]propylamino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]butanamide |
| Canonical SMILES | CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCNC[C@@H]1C[C@H]1CNCCCN |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.2 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P30926 | CHRNB4 | Homo sapiens | Human | PF02931 PF02932 | 9.0 | IC50 | ChEMBL |
| P32297 | CHRNA3 | Homo sapiens | Human | PF02931 PF02932 | 9.0 | IC50 | ChEMBL;BindingDB |
| P43681 | CHRNA4 | Homo sapiens | Human | PF02931 PF02932 | 7.4 | IC50 | ChEMBL;BindingDB |
| P17787 | CHRNB2 | Homo sapiens | Human | PF02931 PF02932 | 7.3 | IC50 | ChEMBL |