Molecule Details
| InChIKey | CMWRPDHVGMHLSZ-GFCCVEGCSA-N |
|---|---|
| Compound Name | PF-3644022 |
| Canonical SMILES | Cc1ccc(-c2ccc3c(ccc4sc5c(c43)NC[C@@H](C)NC5=O)n2)cn1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 22 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.87 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB07430 |
|---|---|
| Drug Name | (10R)-10-methyl-3-(6-methylpyridin-3-yl)-9,10,11,12-tetrahydro-8H-[1,4]diazepino[5',6':4,5]thieno[3,2-f]quinolin-8-one |
| CAS Number | nan |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Cross-references: BindingDB: 50395272 CHEMBL1231206 ChemSpider: 25058556 PDB: B97 PubChem:44631903 PubChem:99443901 ZINC: ZINC000039258365
Target Activities (22)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q8IW41 | MAPKAPK5 | Homo sapiens | Human | PF00069 | 8.3 | IC50 | ChEMBL |
| P49137 | MAPKAPK2 | Homo sapiens | Human | PF00069 | 8.3 | IC50 | ChEMBL;BindingDB |
| Q16644 | MAPKAPK3 | Homo sapiens | Human | PF00069 | 7.3 | IC50 | ChEMBL |
| Q99683 | MAP3K5 | Homo sapiens | Human | PF19039 PF20309 PF20302 PF13281 PF00069 | 7.2 | IC50 | ChEMBL |
| Q13554 | CAMK2B | Homo sapiens | Human | PF08332 PF00069 | 7.2 | IC50 | ChEMBL |
| Q9UQM7 | CAMK2A | Homo sapiens | Human | PF08332 PF00069 | 7.2 | IC50 | ChEMBL |
| Q9UEE5 | STK17A | Homo sapiens | Human | PF00069 | 7.2 | IC50 | ChEMBL |
| Q12866 | MERTK | Homo sapiens | Human | PF00041 PF00047 PF13927 PF07714 | 7.1 | IC50 | ChEMBL |
| P11309 | PIM1 | Homo sapiens | Human | PF00069 | 7.1 | IC50 | ChEMBL |
| Q8IWQ3 | BRSK2 | Homo sapiens | Human | PF21122 PF00069 PF21115 | 7.0 | IC50 | ChEMBL |
| Q13131 | PRKAA1 | Homo sapiens | Human | PF16579 PF21147 PF00069 | 6.9 | IC50 | ChEMBL |
| Q9HBH9 | MKNK2 | Homo sapiens | Human | PF00069 | 6.8 | IC50 | ChEMBL |
| Q8TDC3 | BRSK1 | Homo sapiens | Human | PF21122 PF00069 PF21115 | 6.7 | IC50 | ChEMBL |
| O95067 | CCNB2 | Homo sapiens | Human | PF02984 PF00134 | 6.5 | IC50 | ChEMBL |
| P06493 | CDK1 | Homo sapiens | Human | PF00069 | 6.5 | IC50 | ChEMBL |
| P14635 | CCNB1 | Homo sapiens | Human | PF02984 PF00134 | 6.5 | IC50 | ChEMBL |
| Q8WWL7 | CCNB3 | Homo sapiens | Human | PF02984 PF00134 | 6.5 | IC50 | ChEMBL |
| P30530 | AXL | Homo sapiens | Human | PF00041 PF13927 PF07714 | 6.4 | IC50 | ChEMBL |
| P15735 | PHKG2 | Homo sapiens | Human | PF00069 | 6.3 | IC50 | ChEMBL |
| O43353 | RIPK2 | Homo sapiens | Human | PF00619 PF07714 | 6.2 | IC50 | ChEMBL |
| Q00535 | CDK5 | Homo sapiens | Human | PF00069 | 6.0 | IC50 | ChEMBL |
| Q15078 | CDK5R1 | Homo sapiens | Human | PF03261 | 6.0 | IC50 | ChEMBL |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P49137 | MAPKAPK2 | MAP kinase-activated protein kinase 2 | inhibitor | targets |