Molecule Details
| InChIKey | GRZXWCHAXNAUHY-NSISKUIASA-N |
|---|---|
| Compound Name | Ipatasertib |
| Canonical SMILES | CC(C)NC[C@@H](C(=O)N1CCN(c2ncnc3c2[C@H](C)C[C@H]3O)CC1)c1ccc(Cl)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.86 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB11743 |
|---|---|
| Drug Name | Ipatasertib |
| CAS Number | 1001264-89-6 |
| Groups | investigational |
| ATC Codes | nan |
| Description | Ipatasertib has been used in trials studying the treatment of Cancer, Neoplasms, Solid Cancers, Breast Cancer, and Gastric Cancer, among others. |
Categories: Antineoplastic Agents Enzyme Inhibitors Protein Kinase Inhibitors Proto-Oncogene Proteins c-akt, antagonists & inhibitors
Cross-references: BindingDB: 50398379 ChEBI: 95089 CHEMBL2177390 ChemSpider: 28189084 PDB: 0RF PubChem:24788740 PubChem:347828101 Wikipedia: Ipatasertib ZINC: ZINC000068250459
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P31749 | AKT1 | Homo sapiens | Human | PF00169 PF00069 PF00433 | 8.5 | IC50 | ChEMBL;BindingDB |
| Q9Y243 | AKT3 | Homo sapiens | Human | PF00169 PF00069 PF00433 | 8.1 | IC50 | ChEMBL;BindingDB |
| P31751 | AKT2 | Homo sapiens | Human | PF00169 PF00069 PF00433 | 7.8 | IC50 | ChEMBL;BindingDB |
| Q13976 | PRKG1 | Homo sapiens | Human | PF00027 PF16808 PF00069 | 7.1 | IC50 | ChEMBL;BindingDB |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P31749 | AKT1 | RAC-alpha serine/threonine-protein kinase | inhibitor | targets |