Molecule Details
| InChIKey | MXDCACLUETVZNL-CALCHBBNSA-N |
|---|---|
| Compound Name | Alk2-IN-5 |
| Canonical SMILES | COC(=O)N1C[C@@H](C)N(c2ncc3[nH]nc(-c4ccc(N5CCN(C)CC5)cc4)c3n2)[C@@H](C)C1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 8 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.98 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (8)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q04771 | ACVR1 | Homo sapiens | Human | PF01064 PF07714 PF08515 | 8.1 | IC50 | ChEMBL;BindingDB |
| P37023 | ACVRL1 | Homo sapiens | Human | PF07714 PF08515 | 7.7 | IC50 | ChEMBL;BindingDB |
| P81172 | HAMP | Homo sapiens | Human | PF06446 | 7.5 | IC50 | ChEMBL;BindingDB |
| P36897 | TGFBR1 | Homo sapiens | Human | PF01064 PF00069 PF08515 | 7.0 | IC50 | ChEMBL;BindingDB |
| P22607 | FGFR3 | Homo sapiens | Human | PF21165 PF07679 PF13927 PF07714 | 6.8 | IC50 | ChEMBL;BindingDB |
| P21802 | FGFR2 | Homo sapiens | Human | PF07679 PF13927 PF07714 | 6.5 | IC50 | ChEMBL;BindingDB |
| P11362 | FGFR1 | Homo sapiens | Human | PF07679 PF00047 PF07714 | 6.2 | IC50 | ChEMBL |
| P36894 | BMPR1A | Homo sapiens | Human | PF01064 PF07714 PF08515 | 6.0 | IC50 | ChEMBL;BindingDB |