Molecule Details
| InChIKey | OVPNQJVDAFNBDN-UHFFFAOYSA-N |
|---|---|
| Compound Name | 4-(2,6-dichlorobenzoylamino)-1H-pyrazole-3-carboxylic acid piperidin-4-ylamide |
| Canonical SMILES | O=C(NC1CCNCC1)c1n[nH]cc1NC(=O)c1c(Cl)cccc1Cl |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 44 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.36 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB08142 |
|---|---|
| Drug Name | AT-7519 |
| CAS Number | 844442-38-2 |
| Groups | investigational |
| ATC Codes | nan |
| Description | AT7519 is a selective inhibitor of certain Cyclin Dependent Kinases (CDKs) leading to tumour regression. It is developed by Astex for the treatment of solid tumours and haematological malignancies. |
Categories: Cyclin-Dependent Kinases, antagonists & inhibitors
Cross-references: BindingDB: 50113281 ChEBI: 91326 CHEMBL445813 ChemSpider: 9512977 PDB: LZE PubChem:11338033 PubChem:99444613 ZINC: ZINC000016052857
Target Activities (44)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q00537 | CDK17 | Homo sapiens | Human | PF00069 | 9.0 | Kd | ChEMBL;BindingDB |
| Q00536 | CDK16 | Homo sapiens | Human | PF00069 | 8.7 | Kd | ChEMBL;BindingDB |
| O76039 | CDKL5 | Homo sapiens | Human | PF00069 | 8.6 | Kd | ChEMBL;BindingDB |
| P50613 | CDK7 | Homo sapiens | Human | PF00069 | 8.6 | Kd | ChEMBL;BindingDB |
| Q14004 | CDK13 | Homo sapiens | Human | PF00069 | 8.5 | Kd | ChEMBL;BindingDB |
| Q9UQ88 | CDK11A | Homo sapiens | Human | PF00069 | 8.3 | Kd | ChEMBL;BindingDB |
| O60563 | CCNT1 | Homo sapiens | Human | PF00134 PF21797 | 8.2 | IC50 | ChEMBL;BindingDB |
| P50750 | CDK9 | Homo sapiens | Human | PF00069 | 8.2 | IC50 | ChEMBL;BindingDB |
| P21127 | CDK11B | Homo sapiens | Human | PF00069 | 8.1 | Kd | ChEMBL;BindingDB |
| Q9UPZ9 | CILK1 | Homo sapiens | Human | PF00069 | 8.1 | Kd | ChEMBL;BindingDB |
| Q07002 | CDK18 | Homo sapiens | Human | PF00069 | 7.8 | Kd | ChEMBL;BindingDB |
| O94921 | CDK14 | Homo sapiens | Human | PF00069 | 7.8 | IC50 | ChEMBL;BindingDB |
| Q00535 | CDK5 | Homo sapiens | Human | PF00069 | 7.8 | IC50 | ChEMBL;BindingDB |
| Q15078 | CDK5R1 | Homo sapiens | Human | PF03261 | 7.7 | IC50 | ChEMBL;BindingDB |
| Q8ND76 | CCNY | Homo sapiens | Human | PF00134 | 7.7 | IC50 | ChEMBL;BindingDB |
| P49840 | GSK3A | Homo sapiens | Human | PF00069 | 7.6 | Kd | ChEMBL;BindingDB |
| O14936 | CASK | Homo sapiens | Human | PF00625 PF02828 PF00595 PF00069 PF07653 | 7.6 | Kd | ChEMBL;BindingDB |
| Q13164 | MAPK7 | Homo sapiens | Human | PF00069 | 7.4 | Kd | ChEMBL;BindingDB |
| P20248 | CCNA2 | Homo sapiens | Human | PF02984 PF00134 PF16500 | 7.3 | IC50 | ChEMBL |
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 7.3 | pIC50 | TTD_MultiTarget |
| P78396 | CCNA1 | Homo sapiens | Human | PF02984 PF00134 PF16500 | 7.3 | IC50 | ChEMBL |
| Q9UL54 | TAOK2 | Homo sapiens | Human | PF00069 | 7.3 | Kd | ChEMBL;BindingDB |
| P49841 | GSK3B | Homo sapiens | Human | PF00069 | 7.2 | Kd | ChEMBL;BindingDB |
| Q9H2K8 | TAOK3 | Homo sapiens | Human | PF00069 | 7.2 | Kd | ChEMBL;BindingDB |
| Q96Q40 | CDK15 | Homo sapiens | Human | PF00069 | 7.2 | Kd | ChEMBL;BindingDB |
| P11802 | CDK4 | Homo sapiens | Human | PF00069 | 7.2 | IC50 | ChEMBL;BindingDB |
| P24385 | CCND1 | Homo sapiens | Human | PF02984 PF00134 | 7.1 | IC50 | ChEMBL |
| P06493 | CDK1 | Homo sapiens | Human | PF00069 | 7.0 | pIC50 | TTD_MultiTarget |
| P20794 | MAK | Homo sapiens | Human | PF00069 | 7.0 | Kd | ChEMBL;BindingDB |
| Q13627 | DYRK1A | Homo sapiens | Human | PF00069 | 6.9 | Kd | ChEMBL;BindingDB |
| Q8TD08 | MAPK15 | Homo sapiens | Human | PF00069 | 6.9 | Kd | ChEMBL;BindingDB |
| Q7L7X3 | TAOK1 | Homo sapiens | Human | PF00069 | 6.9 | Kd | ChEMBL;BindingDB |
| P30281 | CCND3 | Homo sapiens | Human | PF02984 PF00134 | 6.8 | IC50 | ChEMBL |
| Q00534 | CDK6 | Homo sapiens | Human | PF00069 | 6.8 | IC50 | ChEMBL;BindingDB |
| O95067 | CCNB2 | Homo sapiens | Human | PF02984 PF00134 | 6.7 | Ki | ChEMBL |
| P14635 | CCNB1 | Homo sapiens | Human | PF02984 PF00134 | 6.7 | IC50 | ChEMBL |
| Q8WWL7 | CCNB3 | Homo sapiens | Human | PF02984 PF00134 | 6.7 | Ki | ChEMBL |
| Q9NYV4 | CDK12 | Homo sapiens | Human | PF00069 | 6.6 | Kd | ChEMBL |
| Q9Y463 | DYRK1B | Homo sapiens | Human | PF00069 | 6.5 | Kd | ChEMBL;BindingDB |
| P24864 | CCNE1 | Homo sapiens | Human | PF02984 PF00134 | 6.4 | IC50 | ChEMBL;BindingDB |
| Q00526 | CDK3 | Homo sapiens | Human | PF00069 | 6.4 | IC50 | ChEMBL;BindingDB |
| P49761 | CLK3 | Homo sapiens | Human | PF00069 | 6.4 | Kd | ChEMBL;BindingDB |
| P49759 | CLK1 | Homo sapiens | Human | PF00069 | 6.0 | Kd | ChEMBL;BindingDB |
| Q92772 | CDKL2 | Homo sapiens | Human | PF00069 | 6.0 | Kd | ChEMBL;BindingDB |