Molecule Details
| InChIKey | KRKQVGZXTNLQSV-UHFFFAOYSA-N |
|---|---|
| Compound Name | 1-(3-(2,4-Dimethylthiazol-5-YL)-4-oxo-2,4-dihydroindeno(1,2-C)pyrazol-5-YL)-3-(4-methylpiperazin-1-YL)urea |
| Canonical SMILES | Cc1nc(C)c(-c2[nH]nc3c2C(=O)c2c(NC(=O)NN4CCN(C)CC4)cccc2-3)s1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 9 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.01 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB07622 |
|---|---|
| Drug Name | 1-(3-(2,4-DIMETHYLTHIAZOL-5-YL)-4-OXO-2,4-DIHYDROINDENO[1,2-C]PYRAZOL-5-YL)-3-(4-METHYLPIPERAZIN-1-YL)UREA |
| CAS Number | nan |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Cross-references: BindingDB: 6051 CHEMBL325023 ChemSpider: 4450263 PDB: D42 PubChem:5288018 PubChem:99444093 ZINC: ZINC000000595002
Target Activities (9)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O95067 | CCNB2 | Homo sapiens | Human | PF02984 PF00134 | 8.2 | IC50 | ChEMBL |
| P06493 | CDK1 | Homo sapiens | Human | PF00069 | 8.2 | IC50 | ChEMBL |
| P14635 | CCNB1 | Homo sapiens | Human | PF02984 PF00134 | 8.2 | IC50 | ChEMBL |
| Q8WWL7 | CCNB3 | Homo sapiens | Human | PF02984 PF00134 | 8.2 | IC50 | ChEMBL |
| P11802 | CDK4 | Homo sapiens | Human | PF00069 | 8.1 | pIC50 | TTD_MultiTarget |
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 8.0 | IC50 | ChEMBL;BindingDB |
| P20248 | CCNA2 | Homo sapiens | Human | PF02984 PF00134 PF16500 | 7.9 | IC50 | ChEMBL |
| P78396 | CCNA1 | Homo sapiens | Human | PF02984 PF00134 PF16500 | 7.9 | IC50 | ChEMBL |
| P24385 | CCND1 | Homo sapiens | Human | PF02984 PF00134 | 7.3 | IC50 | ChEMBL |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P24941 | CDK2 | Cyclin-dependent kinase 2 | binder | targets |