Molecule Details
| InChIKey | DKXHSOUZPMHNIZ-UHFFFAOYSA-N |
|---|---|
| Compound Name | Pha-767491 |
| Canonical SMILES | O=C1NCCc2[nH]c(-c3ccncc3)cc21 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 51 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.88 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB17043 |
|---|---|
| Drug Name | PHA-767491 |
| CAS Number | 845714-00-3 |
| Groups | experimental |
| ATC Codes | nan |
| Description | PHA-767491 is a Cdc7/CDK9 inhibitor.[A253077] |
Categories: Piperidines
Cross-references: BindingDB: 27344 ChEBI: 95058 CHEMBL225519 ChemSpider: 9890488 PDB: 0SY ZINC: ZINC000016052718
Target Activities (51)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q9HAZ1 | CLK4 | Homo sapiens | Human | PF00069 | 8.4 | Ki | ChEMBL |
| Q16513 | PKN2 | Homo sapiens | Human | PF02185 PF00069 PF00433 | 8.1 | Ki | ChEMBL |
| O00311 | CDC7 | Homo sapiens | Human | PF00069 | 8.0 | IC50 | ChEMBL;BindingDB |
| P49336 | CDK8 | Homo sapiens | Human | PF00069 | 8.0 | Ki | ChEMBL |
| P50613 | CDK7 | Homo sapiens | Human | PF00069 | 8.0 | IC50 | ChEMBL;BindingDB |
| Q9Y463 | DYRK1B | Homo sapiens | Human | PF00069 | 8.0 | Ki | ChEMBL |
| Q13627 | DYRK1A | Homo sapiens | Human | PF00069 | 7.7 | Ki | ChEMBL |
| Q13976 | PRKG1 | Homo sapiens | Human | PF00027 PF16808 PF00069 | 7.7 | Ki | ChEMBL |
| P48729 | CSNK1A1 | Homo sapiens | Human | PF00069 | 7.5 | Ki | ChEMBL |
| P53778 | MAPK12 | Homo sapiens | Human | PF00069 | 7.5 | Ki | ChEMBL |
| P50750 | CDK9 | Homo sapiens | Human | PF00069 | 7.5 | IC50 | ChEMBL;BindingDB |
| Q04759 | PRKCQ | Homo sapiens | Human | PF00130 PF21494 PF00069 PF00433 | 7.4 | Ki | ChEMBL |
| O43781 | DYRK3 | Homo sapiens | Human | PF00069 | 7.3 | Ki | ChEMBL |
| O75116 | ROCK2 | Homo sapiens | Human | PF25346 PF00069 PF08912 | 7.3 | Ki | ChEMBL |
| P48730 | CSNK1D | Homo sapiens | Human | PF00069 | 7.3 | Ki | ChEMBL |
| O43293 | DAPK3 | Homo sapiens | Human | PF00069 | 7.2 | Ki | ChEMBL |
| P49840 | GSK3A | Homo sapiens | Human | PF00069 | 7.2 | Ki | ChEMBL |
| P78368 | CSNK1G2 | Homo sapiens | Human | PF12605 PF00069 | 7.2 | Ki | ChEMBL |
| Q9UEE5 | STK17A | Homo sapiens | Human | PF00069 | 7.2 | Ki | ChEMBL |
| O15264 | MAPK13 | Homo sapiens | Human | PF00069 | 7.1 | Ki | ChEMBL |
| P51617 | IRAK1 | Homo sapiens | Human | PF00531 PF00069 | 7.1 | Ki | ChEMBL |
| Q13237 | PRKG2 | Homo sapiens | Human | PF00027 PF00069 | 7.1 | Ki | ChEMBL |
| Q13464 | ROCK1 | Homo sapiens | Human | PF25346 PF00069 PF08912 | 7.0 | Ki | ChEMBL |
| Q9Y6M4 | CSNK1G3 | Homo sapiens | Human | PF12605 PF00069 | 6.8 | Ki | ChEMBL |
| Q9HBH9 | MKNK2 | Homo sapiens | Human | PF00069 | 6.8 | IC50 | ChEMBL;BindingDB |
| Q9H2X6 | HIPK2 | Homo sapiens | Human | PF00069 | 6.7 | Ki | ChEMBL |
| Q9NR20 | DYRK4 | Homo sapiens | Human | PF00069 | 6.7 | Ki | ChEMBL |
| Q16512 | PKN1 | Homo sapiens | Human | PF02185 PF00069 PF00433 | 6.7 | IC50 | ChEMBL |
| P49841 | GSK3B | Homo sapiens | Human | PF00069 | 6.7 | IC50 | ChEMBL;BindingDB |
| P06493 | CDK1 | Homo sapiens | Human | PF00069 | 6.6 | pIC50 | TTD_MultiTarget |
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 6.6 | pIC50 | TTD_MultiTarget |
| P49760 | CLK2 | Homo sapiens | Human | PF00069 | 6.6 | Ki | ChEMBL |
| Q96RG2 | PASK | Homo sapiens | Human | PF13426 PF00069 | 6.6 | Ki | ChEMBL |
| Q9HCP0 | CSNK1G1 | Homo sapiens | Human | PF12605 PF00069 | 6.6 | Ki | ChEMBL |
| Q00535 | CDK5 | Homo sapiens | Human | PF00069 | 6.3 | IC50 | ChEMBL;BindingDB |
| P49137 | MAPKAPK2 | Homo sapiens | Human | PF00069 | 6.3 | IC50 | ChEMBL;BindingDB |
| Q8IW41 | MAPKAPK5 | Homo sapiens | Human | PF00069 | 6.3 | IC50 | ChEMBL;BindingDB |
| Q8N4C8 | MINK1 | Homo sapiens | Human | PF00780 PF00069 | 6.3 | Ki | ChEMBL |
| Q96KB5 | PBK | Homo sapiens | Human | PF00069 | 6.3 | Ki | ChEMBL |
| Q9H4B4 | PLK3 | Homo sapiens | Human | PF00069 PF00659 | 6.3 | Ki | ChEMBL |
| P51817 | PRKX | Homo sapiens | Human | PF00069 | 6.2 | Ki | ChEMBL |
| Q05655 | PRKCD | Homo sapiens | Human | PF00130 PF21494 PF00069 PF00433 | 6.2 | Ki | ChEMBL |
| Q8NE63 | HIPK4 | Homo sapiens | Human | PF00069 | 6.2 | Ki | ChEMBL |
| Q9BZL6 | PRKD2 | Homo sapiens | Human | PF00130 PF00169 PF00069 PF25525 | 6.2 | Ki | ChEMBL |
| O00444 | PLK4 | Homo sapiens | Human | PF00069 PF18190 PF18409 | 6.1 | Ki | ChEMBL |
| O94806 | PRKD3 | Homo sapiens | Human | PF00130 PF00169 PF00069 PF25525 | 6.1 | Ki | ChEMBL |
| Q5S007 | LRRK2 | Homo sapiens | Human | PF23745 PF23744 PF23748 PF16095 PF25497 PF13855 PF00069 PF08477 | 6.1 | Ki | ChEMBL |
| P53350 | PLK1 | Homo sapiens | Human | PF00069 PF00659 | 6.0 | IC50 | ChEMBL;BindingDB |
| O75582 | RPS6KA5 | Homo sapiens | Human | PF00069 PF00433 | 6.0 | Ki | ChEMBL |
| Q04771 | ACVR1 | Homo sapiens | Human | PF01064 PF07714 PF08515 | 6.0 | Ki | ChEMBL |
| Q8TDC3 | BRSK1 | Homo sapiens | Human | PF21122 PF00069 PF21115 | 6.0 | Ki | ChEMBL |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| O00311 | CDC7 | Cell division cycle 7-related protein kinase | modulator | targets |