Molecule Details
| InChIKey | BCIPILGGOSCOMC-MHZLTWQESA-N |
|---|---|
| Compound Name | N-benzhydryl-1-[[(2S)-5-(diaminomethylideneamino)-2-[[2-ethyl-2-(2-methylpropanoylamino)butanoyl]amino]pentanoyl]amino]cyclopentane-1-carboxamide |
| Canonical SMILES | CCC(CC)(NC(=O)C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC1(C(=O)NC(c2ccccc2)c2ccccc2)CCCC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.16 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P61964 | WDR5 | Homo sapiens | Human | PF25175 | 8.5 | IC50 | ChEMBL;BindingDB |
| Q03164 | KMT2A | Homo sapiens | Human | PF05965 PF05964 PF00628 PF00856 PF02008 PF13771 | 8.5 | IC50 | ChEMBL;BindingDB |
| Q15291 | RBBP5 | Homo sapiens | Human | PF00400 | 6.2 | IC50 | ChEMBL |
| Q9C005 | DPY30 | Homo sapiens | Human | PF05186 | 6.2 | IC50 | ChEMBL |
| Q9UBL3 | ASH2L | Homo sapiens | Human | PF21198 PF21257 PF00622 | 6.2 | IC50 | ChEMBL |