Molecule Details
| InChIKey | AXTAPYRUEKNRBA-JTQLQIEISA-N |
|---|---|
| Compound Name | Uprosertib |
| Canonical SMILES | Cn1ncc(Cl)c1-c1cc(C(=O)N[C@H](CN)Cc2ccc(F)c(F)c2)oc1Cl |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 24 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.82 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB11969 |
|---|---|
| Drug Name | Uprosertib |
| CAS Number | 1047634-65-0 |
| Groups | investigational |
| ATC Codes | nan |
| Description | Uprosertib has been used in trials studying the treatment of Cancer, Melanoma, Solid Tumours, Cervical Cancer, and HER2/Neu Negative, among others. |
Categories: Amines Polyamines
Cross-references: BindingDB: 50170284 CHEMBL3137336 ChemSpider: 32701836 PubChem:51042438 PubChem:347828293 ZINC: ZINC000043197676
Target Activities (24)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q9Y243 | AKT3 | Homo sapiens | Human | PF00169 PF00069 PF00433 | 8.9 | IC50 | ChEMBL;BindingDB |
| P31751 | AKT2 | Homo sapiens | Human | PF00169 PF00069 PF00433 | 8.8 | IC50 | ChEMBL;BindingDB |
| P31749 | AKT1 | Homo sapiens | Human | PF00169 PF00069 PF00433 | 8.2 | IC50 | ChEMBL;BindingDB |
| P17612 | PRKACA | Homo sapiens | Human | PF00069 | 8.0 | Kd | ChEMBL |
| Q00536 | CDK16 | Homo sapiens | Human | PF00069 | 7.4 | Kd | ChEMBL |
| P22694 | PRKACB | Homo sapiens | Human | PF00069 | 7.3 | Kd | ChEMBL |
| P23443 | RPS6KB1 | Homo sapiens | Human | PF00069 PF00433 | 7.2 | IC50 | ChEMBL;BindingDB |
| Q16512 | PKN1 | Homo sapiens | Human | PF02185 PF00069 PF00433 | 7.1 | Kd | ChEMBL |
| Q13464 | ROCK1 | Homo sapiens | Human | PF25346 PF00069 PF08912 | 6.9 | IC50 | ChEMBL;BindingDB |
| O00141 | SGK1 | Homo sapiens | Human | PF00069 PF00433 | 6.7 | IC50 | ChEMBL;BindingDB |
| Q13627 | DYRK1A | Homo sapiens | Human | PF00069 | 6.6 | Kd | ChEMBL |
| Q14680 | MELK | Homo sapiens | Human | PF02149 PF00069 PF21594 | 6.6 | Kd | ChEMBL |
| Q15418 | RPS6KA1 | Homo sapiens | Human | PF00069 PF00433 | 6.5 | IC50 | ChEMBL;BindingDB |
| O94806 | PRKD3 | Homo sapiens | Human | PF00130 PF00169 PF00069 PF25525 | 6.1 | IC50 | ChEMBL |
| P05129 | PRKCG | Homo sapiens | Human | PF00130 PF00168 PF00069 PF00433 | 6.1 | IC50 | ChEMBL |
| P05771 | PRKCB | Homo sapiens | Human | PF00130 PF00168 PF00069 PF00433 | 6.1 | IC50 | ChEMBL |
| P17252 | PRKCA | Homo sapiens | Human | PF00130 PF00168 PF00069 PF00433 | 6.1 | IC50 | ChEMBL;BindingDB |
| P24723 | PRKCH | Homo sapiens | Human | PF00130 PF00168 PF00069 PF00433 | 6.1 | IC50 | ChEMBL |
| P41743 | PRKCI | Homo sapiens | Human | PF00130 PF00564 PF00069 PF00433 | 6.1 | IC50 | ChEMBL |
| Q02156 | PRKCE | Homo sapiens | Human | PF00130 PF00168 PF00069 PF00433 | 6.1 | IC50 | ChEMBL |
| Q04759 | PRKCQ | Homo sapiens | Human | PF00130 PF21494 PF00069 PF00433 | 6.1 | IC50 | ChEMBL |
| Q05513 | PRKCZ | Homo sapiens | Human | PF00130 PF00564 PF00069 PF00433 | 6.1 | IC50 | ChEMBL |
| Q05655 | PRKCD | Homo sapiens | Human | PF00130 PF21494 PF00069 PF00433 | 6.1 | IC50 | ChEMBL |
| Q15139 | PRKD1 | Homo sapiens | Human | PF00130 PF00169 PF00069 PF25525 | 6.1 | IC50 | ChEMBL |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| Q9Y243 | AKT3 | RAC-gamma serine/threonine-protein kinase | modulator | targets |