Molecule Details
| InChIKey | KGPGFQWBCSZGEL-ZDUSSCGKSA-N |
|---|---|
| Compound Name | Gsk 690693 |
| Canonical SMILES | CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OC[C@H]3CCCNC3)c21 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 59 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.97 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB12745 |
|---|---|
| Drug Name | GSK-690693 |
| CAS Number | 937174-76-0 |
| Groups | investigational |
| ATC Codes | nan |
| Description | GSK690693 has been used in trials studying the treatment of Tumor, CANCER, and Lymphoma. |
Categories: Oxazoles
Cross-references: BindingDB: 25013 ChEBI: 90677 CHEMBL494089 ChemSpider: 20557532 PDB: G93 PubChem:16725726 PubChem:347828935 ZINC: ZINC000034285211
Target Activities (59)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P31749 | AKT1 | Homo sapiens | Human | PF00169 PF00069 PF00433 | 8.7 | IC50 | ChEMBL;BindingDB |
| P24723 | PRKCH | Homo sapiens | Human | PF00130 PF00168 PF00069 PF00433 | 8.6 | Kd | ChEMBL;BindingDB |
| Q13237 | PRKG2 | Homo sapiens | Human | PF00027 PF00069 | 8.5 | Kd | ChEMBL;BindingDB |
| Q02156 | PRKCE | Homo sapiens | Human | PF00130 PF00168 PF00069 PF00433 | 8.3 | Kd | ChEMBL;BindingDB |
| P51817 | PRKX | Homo sapiens | Human | PF00069 | 8.1 | Kd | ChEMBL;BindingDB |
| Q9P286 | PAK5 | Homo sapiens | Human | PF00786 PF00069 | 8.1 | Kd | ChEMBL;BindingDB |
| Q9Y243 | AKT3 | Homo sapiens | Human | PF00169 PF00069 PF00433 | 8.1 | IC50 | ChEMBL;BindingDB |
| Q04759 | PRKCQ | Homo sapiens | Human | PF00130 PF21494 PF00069 PF00433 | 7.9 | Kd | ChEMBL;BindingDB |
| P22694 | PRKACB | Homo sapiens | Human | PF00069 | 7.9 | Kd | ChEMBL;BindingDB |
| P31751 | AKT2 | Homo sapiens | Human | PF00169 PF00069 PF00433 | 7.9 | IC50 | ChEMBL;BindingDB |
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 7.8 | pIC50 | TTD_MultiTarget |
| O96013 | PAK4 | Homo sapiens | Human | PF00786 PF00069 | 7.7 | Kd | ChEMBL;BindingDB |
| P17612 | PRKACA | Homo sapiens | Human | PF00069 | 7.7 | Kd | ChEMBL;BindingDB |
| Q9NQU5 | PAK6 | Homo sapiens | Human | PF00786 PF00069 | 7.7 | Kd | ChEMBL;BindingDB |
| Q56UN5 | MAP3K19 | Homo sapiens | Human | PF00069 | 7.5 | Kd | ChEMBL;BindingDB |
| Q16512 | PKN1 | Homo sapiens | Human | PF02185 PF00069 PF00433 | 7.5 | Kd | ChEMBL;BindingDB |
| O75676 | RPS6KA4 | Homo sapiens | Human | PF00069 PF00433 | 7.3 | Kd | ChEMBL;BindingDB |
| P13861 | PRKAR2A | Homo sapiens | Human | PF00027 PF02197 | 7.3 | Kd | ChEMBL |
| Q05655 | PRKCD | Homo sapiens | Human | PF00130 PF21494 PF00069 PF00433 | 7.3 | Kd | ChEMBL;BindingDB |
| O95835 | LATS1 | Homo sapiens | Human | PF00069 PF00433 PF00627 | 7.1 | Kd | ChEMBL |
| P05771 | PRKCB | Homo sapiens | Human | PF00130 PF00168 PF00069 PF00433 | 7.1 | IC50 | ChEMBL |
| Q9UGJ0 | PRKAG2 | Homo sapiens | Human | PF00571 | 7.1 | Kd | ChEMBL |
| Q9H093 | NUAK2 | Homo sapiens | Human | PF00069 | 7.1 | Kd | ChEMBL;BindingDB |
| Q9C098 | DCLK3 | Homo sapiens | Human | PF00069 | 7.0 | Kd | ChEMBL;BindingDB |
| Q13976 | PRKG1 | Homo sapiens | Human | PF00027 PF16808 PF00069 | 6.9 | Kd | ChEMBL;BindingDB |
| P49841 | GSK3B | Homo sapiens | Human | PF00069 | 6.9 | Kd | ChEMBL;BindingDB |
| Q9NRM7 | LATS2 | Homo sapiens | Human | PF00069 PF00433 | 6.8 | Kd | ChEMBL;BindingDB |
| O75582 | RPS6KA5 | Homo sapiens | Human | PF00069 PF00433 | 6.8 | Kd | ChEMBL;BindingDB |
| O14578 | CIT | Homo sapiens | Human | PF00780 PF00169 PF00069 PF00433 | 6.7 | Kd | ChEMBL;BindingDB |
| O75116 | ROCK2 | Homo sapiens | Human | PF25346 PF00069 PF08912 | 6.7 | Kd | ChEMBL;BindingDB |
| Q9H422 | HIPK3 | Homo sapiens | Human | PF00069 | 6.7 | Kd | ChEMBL;BindingDB |
| P27448 | MARK3 | Homo sapiens | Human | PF02149 PF00069 PF00627 | 6.7 | Kd | ChEMBL |
| P41743 | PRKCI | Homo sapiens | Human | PF00130 PF00564 PF00069 PF00433 | 6.6 | Kd | ChEMBL;BindingDB |
| Q13177 | PAK2 | Homo sapiens | Human | PF00786 PF00069 | 6.6 | Kd | ChEMBL;BindingDB |
| P49840 | GSK3A | Homo sapiens | Human | PF00069 | 6.6 | Kd | ChEMBL |
| Q13464 | ROCK1 | Homo sapiens | Human | PF25346 PF00069 PF08912 | 6.5 | Kd | ChEMBL;BindingDB |
| Q9Y2U5 | MAP3K2 | Homo sapiens | Human | PF00564 PF00069 | 6.5 | Kd | ChEMBL;BindingDB |
| P10721 | KIT | Homo sapiens | Human | PF00047 PF07714 | 6.4 | Kd | ChEMBL;BindingDB |
| Q16566 | CAMK4 | Homo sapiens | Human | PF00069 | 6.4 | Kd | ChEMBL;BindingDB |
| Q8WTQ7 | GRK7 | Homo sapiens | Human | PF00069 PF00615 | 6.4 | Kd | ChEMBL;BindingDB |
| Q9H2X6 | HIPK2 | Homo sapiens | Human | PF00069 | 6.4 | Kd | ChEMBL;BindingDB |
| O60285 | NUAK1 | Homo sapiens | Human | PF00069 | 6.4 | Kd | ChEMBL;BindingDB |
| Q86Z02 | HIPK1 | Homo sapiens | Human | PF00069 | 6.3 | Kd | ChEMBL;BindingDB |
| Q13153 | PAK1 | Homo sapiens | Human | PF00786 PF00069 | 6.3 | Kd | ChEMBL;BindingDB |
| O43293 | DAPK3 | Homo sapiens | Human | PF00069 | 6.2 | Kd | ChEMBL;BindingDB |
| P17252 | PRKCA | Homo sapiens | Human | PF00130 PF00168 PF00069 PF00433 | 6.2 | Kd | ChEMBL |
| Q9H773 | DCTPP1 | Homo sapiens | Human | PF12643 | 6.2 | Kd | ChEMBL |
| Q15835 | GRK1 | Homo sapiens | Human | PF00069 PF00615 | 6.2 | Kd | ChEMBL;BindingDB |
| Q7L7X3 | TAOK1 | Homo sapiens | Human | PF00069 | 6.2 | Kd | ChEMBL;BindingDB |
| Q9P1W9 | PIM2 | Homo sapiens | Human | PF00069 | 6.2 | Kd | ChEMBL;BindingDB |
| P49760 | CLK2 | Homo sapiens | Human | PF00069 | 6.1 | Kd | ChEMBL;BindingDB |
| Q7KZI7 | MARK2 | Homo sapiens | Human | PF02149 PF00069 PF00627 | 6.1 | Kd | ChEMBL;BindingDB |
| Q86V86 | PIM3 | Homo sapiens | Human | PF00069 | 6.1 | Kd | ChEMBL;BindingDB |
| Q99759 | MAP3K3 | Homo sapiens | Human | PF00564 PF00069 | 6.1 | Kd | ChEMBL;BindingDB |
| Q14680 | MELK | Homo sapiens | Human | PF02149 PF00069 PF21594 | 6.0 | Kd | ChEMBL;BindingDB |
| Q16513 | PKN2 | Homo sapiens | Human | PF02185 PF00069 PF00433 | 6.0 | Kd | ChEMBL |
| P11309 | PIM1 | Homo sapiens | Human | PF00069 | 6.0 | Kd | ChEMBL;BindingDB |
| O94806 | PRKD3 | Homo sapiens | Human | PF00130 PF00169 PF00069 PF25525 | 6.0 | Kd | ChEMBL;BindingDB |
| P9WI81 | pknB | Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) | Pathogen | PF03793 PF00069 | 8.5 | Kd | ChEMBL;BindingDB |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| Q9Y243 | AKT3 | RAC-gamma serine/threonine-protein kinase | modulator | targets |