Molecule Details
| InChIKey | AYCPARAPKDAOEN-LJQANCHMSA-N |
|---|---|
| Compound Name | PF-3758309 |
| Canonical SMILES | Cc1nc(Nc2n[nH]c3c2CN(C(=O)N[C@H](CN(C)C)c2ccccc2)C3(C)C)c2sccc2n1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 73 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.14 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB11775 |
|---|---|
| Drug Name | PF-03758309 |
| CAS Number | 898044-15-0 |
| Groups | investigational |
| ATC Codes | nan |
| Description | PF-03758309 has been used in trials studying the treatment of Advanced Solid Tumors. |
Categories: p21-Activated Kinases, antagonists & inhibitors
Cross-references: BindingDB: 101618 ChEBI: 93751 CHEMBL3128043 ChemSpider: 25069694 PDB: 7KC PubChem:25227462 PubChem:347828127 ZINC: ZINC000043203531
Target Activities (73)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P18074 | ERCC2 | Homo sapiens | Human | PF06733 PF06777 PF13307 | 8.7 | Kd | ChEMBL |
| Q9UK32 | RPS6KA6 | Homo sapiens | Human | PF00069 PF00433 | 8.4 | Kd | ChEMBL |
| Q9UGJ0 | PRKAG2 | Homo sapiens | Human | PF00571 | 8.3 | Kd | ChEMBL |
| Q9Y478 | PRKAB1 | Homo sapiens | Human | PF16561 PF04739 | 8.3 | IC50 | ChEMBL |
| P54619 | PRKAG1 | Homo sapiens | Human | PF00571 | 8.3 | IC50 | ChEMBL |
| Q13131 | PRKAA1 | Homo sapiens | Human | PF16579 PF21147 PF00069 | 8.3 | IC50 | ChEMBL |
| P04637 | TP53 | Homo sapiens | Human | PF00870 PF08563 PF07710 PF18521 | 8.2 | IC50 | ChEMBL |
| Q00987 | MDM2 | Homo sapiens | Human | PF02201 PF13920 PF00641 | 8.2 | IC50 | ChEMBL |
| P50613 | CDK7 | Homo sapiens | Human | PF00069 | 8.2 | IC50 | ChEMBL |
| P51946 | CCNH | Homo sapiens | Human | PF16899 PF00134 | 8.2 | IC50 | ChEMBL;BindingDB |
| P51948 | MNAT1 | Homo sapiens | Human | PF25811 PF06391 PF17121 | 8.2 | IC50 | ChEMBL |
| Q15349 | RPS6KA2 | Homo sapiens | Human | PF00069 PF00433 | 8.0 | Ki | ChEMBL |
| O96017 | CHEK2 | Homo sapiens | Human | PF00498 PF00069 | 7.9 | IC50 | ChEMBL |
| Q9HAZ1 | CLK4 | Homo sapiens | Human | PF00069 | 7.9 | Kd | ChEMBL |
| Q00537 | CDK17 | Homo sapiens | Human | PF00069 | 7.8 | Kd | ChEMBL |
| Q9NQU5 | PAK6 | Homo sapiens | Human | PF00786 PF00069 | 7.8 | IC50 | ChEMBL;BindingDB |
| Q9P289 | STK26 | Homo sapiens | Human | PF20929 PF00069 | 7.8 | Kd | ChEMBL |
| Q9P286 | PAK5 | Homo sapiens | Human | PF00786 PF00069 | 7.7 | IC50 | ChEMBL;BindingDB |
| O96013 | PAK4 | Homo sapiens | Human | PF00786 PF00069 | 7.7 | IC50 | ChEMBL;BindingDB |
| P09769 | FGR | Homo sapiens | Human | PF07714 PF00017 PF00018 | 7.7 | IC50 | ChEMBL |
| Q15139 | PRKD1 | Homo sapiens | Human | PF00130 PF00169 PF00069 PF25525 | 7.7 | IC50 | ChEMBL |
| P51812 | RPS6KA3 | Homo sapiens | Human | PF00069 PF00433 | 7.7 | IC50 | ChEMBL |
| Q9BZL6 | PRKD2 | Homo sapiens | Human | PF00130 PF00169 PF00069 PF25525 | 7.6 | IC50 | ChEMBL |
| Q96L34 | MARK4 | Homo sapiens | Human | PF02149 PF00069 PF00627 | 7.5 | Kd | ChEMBL |
| Q13976 | PRKG1 | Homo sapiens | Human | PF00027 PF16808 PF00069 | 7.5 | IC50 | ChEMBL |
| Q16512 | PKN1 | Homo sapiens | Human | PF02185 PF00069 PF00433 | 7.5 | IC50 | ChEMBL |
| P06241 | FYN | Homo sapiens | Human | PF07714 PF00017 PF00018 | 7.5 | IC50 | ChEMBL |
| Q13153 | PAK1 | Homo sapiens | Human | PF00786 PF00069 | 7.4 | IC50 | ChEMBL;BindingDB |
| P12931 | SRC | Homo sapiens | Human | PF07714 PF00017 PF00018 | 7.4 | IC50 | ChEMBL |
| P07947 | YES1 | Homo sapiens | Human | PF07714 PF00017 PF00018 | 7.3 | IC50 | ChEMBL |
| Q04759 | PRKCQ | Homo sapiens | Human | PF00130 PF21494 PF00069 PF00433 | 7.3 | IC50 | ChEMBL |
| P05129 | PRKCG | Homo sapiens | Human | PF00130 PF00168 PF00069 PF00433 | 7.3 | IC50 | ChEMBL |
| P15735 | PHKG2 | Homo sapiens | Human | PF00069 | 7.3 | Kd | ChEMBL |
| Q15418 | RPS6KA1 | Homo sapiens | Human | PF00069 PF00433 | 7.3 | IC50 | ChEMBL |
| Q14680 | MELK | Homo sapiens | Human | PF02149 PF00069 PF21594 | 7.2 | Kd | ChEMBL |
| P22612 | PRKACG | Homo sapiens | Human | PF00069 | 7.2 | Kd | ChEMBL |
| Q07002 | CDK18 | Homo sapiens | Human | PF00069 | 7.2 | Kd | ChEMBL |
| Q15208 | STK38 | Homo sapiens | Human | PF00069 PF00433 | 7.1 | Kd | ChEMBL |
| P49759 | CLK1 | Homo sapiens | Human | PF00069 | 7.0 | Kd | ChEMBL |
| P36888 | FLT3 | Homo sapiens | Human | PF00047 PF07714 | 7.0 | IC50 | ChEMBL |
| O75914 | PAK3 | Homo sapiens | Human | PF00786 PF00069 | 7.0 | IC50 | ChEMBL;BindingDB |
| P27448 | MARK3 | Homo sapiens | Human | PF02149 PF00069 PF00627 | 7.0 | Kd | ChEMBL |
| O75676 | RPS6KA4 | Homo sapiens | Human | PF00069 PF00433 | 7.0 | Kd | ChEMBL |
| Q7KZI7 | MARK2 | Homo sapiens | Human | PF02149 PF00069 PF00627 | 6.9 | Kd | ChEMBL |
| O95835 | LATS1 | Homo sapiens | Human | PF00069 PF00433 PF00627 | 6.8 | Kd | ChEMBL |
| Q9Y243 | AKT3 | Homo sapiens | Human | PF00169 PF00069 PF00433 | 6.8 | Ki | ChEMBL |
| P05771 | PRKCB | Homo sapiens | Human | PF00130 PF00168 PF00069 PF00433 | 6.7 | IC50 | ChEMBL |
| Q13177 | PAK2 | Homo sapiens | Human | PF00786 PF00069 | 6.7 | IC50 | ChEMBL;BindingDB |
| O14757 | CHEK1 | Homo sapiens | Human | PF00069 | 6.7 | Kd | ChEMBL |
| P11362 | FGFR1 | Homo sapiens | Human | PF07679 PF00047 PF07714 | 6.7 | Kd | ChEMBL |
| Q9UPZ9 | CILK1 | Homo sapiens | Human | PF00069 | 6.6 | Kd | ChEMBL |
| O94806 | PRKD3 | Homo sapiens | Human | PF00130 PF00169 PF00069 PF25525 | 6.6 | Kd | ChEMBL |
| Q13555 | CAMK2G | Homo sapiens | Human | PF08332 PF00069 | 6.6 | Kd | ChEMBL |
| Q13557 | CAMK2D | Homo sapiens | Human | PF08332 PF00069 | 6.5 | Kd | ChEMBL |
| Q32MK0 | MYLK3 | Homo sapiens | Human | PF00069 | 6.5 | Kd | ChEMBL |
| P22694 | PRKACB | Homo sapiens | Human | PF00069 | 6.5 | Kd | ChEMBL |
| P23443 | RPS6KB1 | Homo sapiens | Human | PF00069 PF00433 | 6.5 | Kd | ChEMBL |
| Q9Y6E0 | STK24 | Homo sapiens | Human | PF20929 PF00069 | 6.4 | Kd | ChEMBL |
| Q9UHD2 | TBK1 | Homo sapiens | Human | PF00069 PF18394 PF18396 | 6.4 | Kd | ChEMBL |
| Q16566 | CAMK4 | Homo sapiens | Human | PF00069 | 6.4 | Kd | ChEMBL |
| Q15831 | STK11 | Homo sapiens | Human | PF00069 | 6.4 | Kd | ChEMBL |
| P04629 | NTRK1 | Homo sapiens | Human | PF13855 PF16920 PF07714 PF18613 | 6.3 | IC50 | ChEMBL |
| Q6PHR2 | ULK3 | Homo sapiens | Human | PF04212 PF00069 | 6.2 | Kd | ChEMBL |
| P49841 | GSK3B | Homo sapiens | Human | PF00069 | 6.2 | Kd | ChEMBL |
| Q14164 | IKBKE | Homo sapiens | Human | PF00069 PF18394 PF18396 | 6.2 | Kd | ChEMBL |
| O00444 | PLK4 | Homo sapiens | Human | PF00069 PF18190 PF18409 | 6.2 | Kd | ChEMBL |
| P07949 | RET | Homo sapiens | Human | PF00028 PF07714 PF17756 PF17812 PF17813 PF22540 | 6.1 | Kd | ChEMBL |
| P16591 | FER | Homo sapiens | Human | PF00611 PF07714 PF00017 | 6.1 | Kd | ChEMBL |
| P17252 | PRKCA | Homo sapiens | Human | PF00130 PF00168 PF00069 PF00433 | 6.1 | Kd | ChEMBL |
| P17612 | PRKACA | Homo sapiens | Human | PF00069 | 6.0 | Kd | ChEMBL |
| P42684 | ABL2 | Homo sapiens | Human | PF08919 PF07714 PF00017 PF00018 | 6.0 | Kd | ChEMBL |
| O14965 | AURKA | Homo sapiens | Human | PF00069 | 6.0 | Kd | ChEMBL |
| Q05655 | PRKCD | Homo sapiens | Human | PF00130 PF21494 PF00069 PF00433 | 6.0 | Kd | ChEMBL |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| O96013 | PAK4 | Serine/threonine-protein kinase PAK 4 | inhibitor | targets |