Molecule Details
| InChIKey | WMHURJYFLDPMEB-UHFFFAOYSA-N |
|---|---|
| Compound Name | [4-Amino-2-[3-(4-methylpiperazin-1-yl)anilino]-1,3-thiazol-5-yl]-(2,6-dichlorophenyl)methanone |
| Canonical SMILES | CN1CCN(c2cccc(Nc3nc(N)c(C(=O)c4c(Cl)cccc4Cl)s3)c2)CC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.8 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O60563 | CCNT1 | Homo sapiens | Human | PF00134 PF21797 | 7.5 | IC50 | ChEMBL;BindingDB |
| P50750 | CDK9 | Homo sapiens | Human | PF00069 | 7.5 | IC50 | ChEMBL |
| P11802 | CDK4 | Homo sapiens | Human | PF00069 | 6.7 | IC50 | ChEMBL;BindingDB |
| Q9UQ88 | CDK11A | Homo sapiens | Human | PF00069 | 6.4 | Kd | ChEMBL;BindingDB |
| P24385 | CCND1 | Homo sapiens | Human | PF02984 PF00134 | 6.3 | IC50 | ChEMBL;BindingDB |
| Q00534 | CDK6 | Homo sapiens | Human | PF00069 | 6.3 | IC50 | ChEMBL |