Molecule Details
| InChIKey | HUXYBQXJVXOMKX-UHFFFAOYSA-N |
|---|---|
| Compound Name | Pha-793887 |
| Canonical SMILES | CC(C)CC(=O)Nc1n[nH]c2c1CN(C(=O)C1CCN(C)CC1)C2(C)C |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 28 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.39 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB12686 |
|---|---|
| Drug Name | PHA-793887 |
| CAS Number | 718630-59-2 |
| Groups | investigational |
| ATC Codes | nan |
| Description | PHA-793887 has been used in trials studying the treatment of Advanced/Metastatic Solid Tumors. |
Categories: Cyclin-Dependent Kinases, antagonists & inhibitors
Cross-references: BindingDB: 50378657 ChEBI: 91371 CHEMBL1230607 ChemSpider: 24747380 PDB: 889 PubChem:46191454 PubChem:347828888 ZINC: ZINC000052509437
Target Activities (28)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q9NSD9 | FARSB | Homo sapiens | Human | PF03483 PF03484 PF18262 PF17759 | 8.5 | Kd | ChEMBL |
| Q00535 | CDK5 | Homo sapiens | Human | PF00069 | 8.3 | IC50 | ChEMBL |
| Q15078 | CDK5R1 | Homo sapiens | Human | PF03261 | 8.3 | IC50 | ChEMBL;BindingDB |
| P49760 | CLK2 | Homo sapiens | Human | PF00069 | 8.2 | Kd | ChEMBL |
| P20248 | CCNA2 | Homo sapiens | Human | PF02984 PF00134 PF16500 | 8.1 | IC50 | ChEMBL |
| P24864 | CCNE1 | Homo sapiens | Human | PF02984 PF00134 | 8.1 | IC50 | ChEMBL |
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 8.1 | IC50 | ChEMBL;BindingDB |
| P78396 | CCNA1 | Homo sapiens | Human | PF02984 PF00134 PF16500 | 8.1 | IC50 | ChEMBL |
| Q00526 | CDK3 | Homo sapiens | Human | PF00069 | 8.1 | Kd | ChEMBL |
| P18074 | ERCC2 | Homo sapiens | Human | PF06733 PF06777 PF13307 | 8.0 | Kd | ChEMBL |
| P50613 | CDK7 | Homo sapiens | Human | PF00069 | 8.0 | IC50 | ChEMBL |
| P51946 | CCNH | Homo sapiens | Human | PF16899 PF00134 | 8.0 | IC50 | ChEMBL;BindingDB |
| P49840 | GSK3A | Homo sapiens | Human | PF00069 | 7.5 | Kd | ChEMBL |
| P06493 | CDK1 | Homo sapiens | Human | PF00069 | 7.2 | IC50 | ChEMBL;BindingDB |
| P14635 | CCNB1 | Homo sapiens | Human | PF02984 PF00134 | 7.2 | IC50 | ChEMBL |
| P11802 | CDK4 | Homo sapiens | Human | PF00069 | 7.2 | IC50 | ChEMBL;BindingDB |
| P24385 | CCND1 | Homo sapiens | Human | PF02984 PF00134 | 7.2 | IC50 | ChEMBL |
| O94806 | PRKD3 | Homo sapiens | Human | PF00130 PF00169 PF00069 PF25525 | 7.2 | Kd | ChEMBL |
| P49841 | GSK3B | Homo sapiens | Human | PF00069 | 7.1 | IC50 | ChEMBL;BindingDB |
| Q9BZL6 | PRKD2 | Homo sapiens | Human | PF00130 PF00169 PF00069 PF25525 | 7.0 | Kd | ChEMBL |
| O60563 | CCNT1 | Homo sapiens | Human | PF00134 PF21797 | 6.9 | IC50 | ChEMBL;BindingDB |
| P50750 | CDK9 | Homo sapiens | Human | PF00069 | 6.8 | IC50 | ChEMBL |
| Q9P289 | STK26 | Homo sapiens | Human | PF20929 PF00069 | 6.8 | Kd | ChEMBL |
| Q8TD08 | MAPK15 | Homo sapiens | Human | PF00069 | 6.6 | Kd | ChEMBL |
| Q00536 | CDK16 | Homo sapiens | Human | PF00069 | 6.3 | Kd | ChEMBL |
| O75385 | ULK1 | Homo sapiens | Human | PF12063 PF21127 PF00069 | 6.1 | Kd | ChEMBL |
| O96013 | PAK4 | Homo sapiens | Human | PF00786 PF00069 | 6.1 | Kd | ChEMBL |
| P15735 | PHKG2 | Homo sapiens | Human | PF00069 | 6.0 | Kd | ChEMBL |