Molecule Details
| InChIKey | CFVOAVDAPUQRNK-HNNXBMFYSA-N |
|---|---|
| Compound Name | (S)-2-amino-1-(4-(5-(2-(6-bromopyridin-2-ylamino)thiazol-5-ylthio)-2-methylbenzoyl)piperazin-1-yl)propan-1-one |
| Canonical SMILES | Cc1ccc(Sc2cnc(Nc3cccc(Br)n3)s2)cc1C(=O)N1CCN(C(=O)[C@H](C)N)CC1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.0 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P04629 | NTRK1 | Homo sapiens | Human | PF13855 PF16920 PF07714 PF18613 | 9.0 | IC50 | ChEMBL;BindingDB |
| P08069 | IGF1R | Homo sapiens | Human | PF00757 PF07714 PF01030 | 6.4 | IC50 | ChEMBL;BindingDB |
| P06729 | CD2 | Homo sapiens | Human | PF05790 PF07686 | 6.3 | pIC50 | TTD_MultiTarget |
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 6.3 | pIC50 | TTD_MultiTarget |