Molecule Details
| InChIKey | ZMCMZCLBPMDLQR-QFIPXVFZSA-N |
|---|---|
| Compound Name | (2S)-2-amino-N-[(4-anilino-1-benzylpiperidin-4-yl)methyl]-5-(diaminomethylideneamino)pentanamide |
| Canonical SMILES | N=C(N)NCCC[C@H](N)C(=O)NCC1(Nc2ccccc2)CCN(Cc2ccccc2)CC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.63 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P35372 | OPRM1 | Homo sapiens | Human | PF00001 | 8.5 | Ki | ChEMBL;BindingDB |
| P41145 | OPRK1 | Homo sapiens | Human | PF00001 | 8.3 | Ki | ChEMBL;BindingDB |
| P41143 | OPRD1 | Homo sapiens | Human | PF00001 | 7.4 | Ki | ChEMBL;BindingDB |
| Q9GZQ6 | NPFFR1 | Homo sapiens | Human | PF00001 | 6.3 | Ki | ChEMBL;BindingDB |