Molecule Details
| InChIKey | WOAXRKYXUKTLEM-QRVBRYPASA-N |
|---|---|
| Compound Name | US11111247, Example 9 |
| Canonical SMILES | C[C@@H]1CN(c2ccc(-c3n[nH]c4cnc(N5[C@H](C)CN(C(=O)N6CCCC6)C[C@@H]5C)nc34)cn2)CCN1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 7 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.19 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (7)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q04771 | ACVR1 | Homo sapiens | Human | PF01064 PF07714 PF08515 | 8.2 | IC50 | ChEMBL;BindingDB |
| P37023 | ACVRL1 | Homo sapiens | Human | PF07714 PF08515 | 8.0 | IC50 | ChEMBL;BindingDB |
| P81172 | HAMP | Homo sapiens | Human | PF06446 | 7.5 | IC50 | ChEMBL;BindingDB |
| P36897 | TGFBR1 | Homo sapiens | Human | PF01064 PF00069 PF08515 | 7.3 | IC50 | ChEMBL;BindingDB |
| P21802 | FGFR2 | Homo sapiens | Human | PF07679 PF13927 PF07714 | 6.5 | IC50 | ChEMBL;BindingDB |
| P22607 | FGFR3 | Homo sapiens | Human | PF21165 PF07679 PF13927 PF07714 | 6.5 | IC50 | ChEMBL;BindingDB |
| P36894 | BMPR1A | Homo sapiens | Human | PF01064 PF07714 PF08515 | 6.3 | IC50 | ChEMBL;BindingDB |