Molecule Details
| InChIKey | SSMMYRQDZBSVCY-NWDGAFQWSA-N |
|---|---|
| Compound Name | (3R,5S)-N-(5-((5-tert-butyloxazol-2-yl)methylthio)thiazol-2-yl)-5-methylpiperidine-3-carboxamide |
| Canonical SMILES | C[C@@H]1CNC[C@H](C(=O)Nc2ncc(SCc3ncc(C(C)(C)C)o3)s2)C1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 7 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.47 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (7)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O60563 | CCNT1 | Homo sapiens | Human | PF00134 PF21797 | 8.4 | IC50 | ChEMBL |
| P06493 | CDK1 | Homo sapiens | Human | PF00069 | 7.7 | pIC50 | TTD_MultiTarget |
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 7.7 | pIC50 | TTD_MultiTarget |
| P50750 | CDK9 | Homo sapiens | Human | PF00069 | 7.7 | IC50 | ChEMBL;BindingDB |
| P50613 | CDK7 | Homo sapiens | Human | PF00069 | 7.0 | IC50 | ChEMBL;BindingDB |
| P51946 | CCNH | Homo sapiens | Human | PF16899 PF00134 | 7.0 | IC50 | ChEMBL |
| P14635 | CCNB1 | Homo sapiens | Human | PF02984 PF00134 | 6.9 | IC50 | ChEMBL |