Molecule Details
| InChIKey | AFJRDFWMXUECEW-LBPRGKRZSA-N |
|---|---|
| Compound Name | Afuresertib |
| Canonical SMILES | Cn1ncc(Cl)c1-c1cc(C(=O)N[C@H](CN)Cc2cccc(F)c2)sc1Cl |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.83 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB11648 |
|---|---|
| Drug Name | Afuresertib |
| CAS Number | 1047644-62-1 |
| Groups | investigational |
| ATC Codes | nan |
| Description | Afuresertib has been used in trials studying the treatment of Cancer and Neoplasms, Haematologic. |
Categories: Amines Polyamines Sulfur Compounds
Cross-references: ChEBI: 131168 CHEMBL2219422 ChemSpider: 28651809 PubChem:46843057 PubChem:347828019 ZINC: ZINC000043197674
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P31749 | AKT1 | Homo sapiens | Human | PF00169 PF00069 PF00433 | 10.1 | IC50 | ChEMBL;BindingDB |
| P31751 | AKT2 | Homo sapiens | Human | PF00169 PF00069 PF00433 | 8.7 | IC50 | ChEMBL;BindingDB |
| Q9Y243 | AKT3 | Homo sapiens | Human | PF00169 PF00069 PF00433 | 8.6 | IC50 | ChEMBL;BindingDB |
| P17612 | PRKACA | Homo sapiens | Human | PF00069 | 6.9 | Kd | ChEMBL |
| P22694 | PRKACB | Homo sapiens | Human | PF00069 | 6.7 | Kd | ChEMBL |
| Q16512 | PKN1 | Homo sapiens | Human | PF02185 PF00069 PF00433 | 6.1 | Kd | ChEMBL |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P31749 | AKT1 | RAC-alpha serine/threonine-protein kinase | modulator | targets |