Molecule Details
InChIKeyJDUBGYFRJFOXQC-KRWDZBQOSA-N
Compound NameCapivasertib
Canonical SMILESNC1(C(=O)N[C@@H](CCO)c2ccc(Cl)cc2)CCN(c2nc[nH]c3nccc2-3)CC1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)13
Pfam Stratification Cross-Family
Avg pChEMBL6.84
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
DrugBank Annotations
DrugBank ID DB12218
Drug NameCapivasertib
CAS Number1143532-39-1
Groups approved investigational
ATC Codes L01EX27
DescriptionHormone receptor (HR) positive, especially estrogen receptor-positive, HER2-negative breast cancer is the most common subtype of metastatic breast cancer, resulting in more than 400,000 deaths annually. Although endocrine-based therapy is the first line of treatment, resistance eventually emerges, l...

Categories: Antineoplastic Agents Antineoplastic and Immunomodulating Agents BCRP/ABCG2 Inhibitors Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 Substrates MATE 1 Inhibitors MATE 2 Inhibitors MATE inhibitors OAT3/SLC22A8 Inhibitors OATP1B1/SLCO1B1 Inhibitors OATP1B3 inhibitors OCT2 Inhibitors Protein Kinase Inhibitors Proto-Oncogene Proteins c-akt, antagonists & inhibitors UGT2B7 substrates
Cross-references: BindingDB: 50427349 CHEMBL2325741 ChemSpider: 28189073 Drugs Product Database (DPD): 23920 PDB: 0XZ PubChem:25227436 PubChem:347828497 RxCUI: 2669967 Wikipedia: Capivasertib ZINC: ZINC000043204023
Target Activities (13)
Target Gene Organism Category Pfam pChEMBL Type Source
P31749 AKT1 Homo sapiens Human PF00169 PF00069 PF00433 8.5 IC50 ChEMBL;BindingDB
P31751 AKT2 Homo sapiens Human PF00169 PF00069 PF00433 8.2 IC50 ChEMBL;BindingDB
Q9Y243 AKT3 Homo sapiens Human PF00169 PF00069 PF00433 8.2 IC50 ChEMBL;BindingDB
O75116 ROCK2 Homo sapiens Human PF25346 PF00069 PF08912 6.9 IC50 ChEMBL
P22694 PRKACB Homo sapiens Human PF00069 6.6 Kd ChEMBL
Q13976 PRKG1 Homo sapiens Human PF00027 PF16808 PF00069 6.5 Kd ChEMBL
P53667 LIMK1 Homo sapiens Human PF00412 PF00595 PF07714 6.5 Kd ChEMBL
P17612 PRKACA Homo sapiens Human PF00069 6.4 Kd ChEMBL
P49759 CLK1 Homo sapiens Human PF00069 6.3 Kd ChEMBL
P53671 LIMK2 Homo sapiens Human PF00412 PF00595 PF07714 6.3 Kd ChEMBL
Q9HAZ1 CLK4 Homo sapiens Human PF00069 6.3 Kd ChEMBL
Q13464 ROCK1 Homo sapiens Human PF25346 PF00069 PF08912 6.2 IC50 ChEMBL
P11362 FGFR1 Homo sapiens Human PF07679 PF00047 PF07714 6.1 Kd ChEMBL
DrugBank Target Actions (12)
Target Gene Target Name Action Type
P08684 CYP3A4 Cytochrome P450 3A4 substrate enzymes
P16662 UGT2B7 UDP-glucuronosyltransferase 2B7 substrate enzymes
P31749 AKT1 RAC-alpha serine/threonine-protein kinase inhibitor targets
P31751 AKT2 RAC-beta serine/threonine-protein kinase inhibitor targets
Q9Y243 AKT3 RAC-gamma serine/threonine-protein kinase inhibitor targets
O15244 SLC22A2 Solute carrier family 22 member 2 inhibitor transporters
Q86VL8 SLC47A2 Multidrug and toxin extrusion protein 2 inhibitor transporters
Q8TCC7 SLC22A8 Organic anion transporter 3 inhibitor transporters
Q96FL8 SLC47A1 Multidrug and toxin extrusion protein 1 inhibitor transporters
Q9NPD5 SLCO1B3 Solute carrier organic anion transporter family member 1B3 inhibitor transporters
Q9UNQ0 ABCG2 Broad substrate specificity ATP-binding cassette transporter ABCG2 inhibitor transporters
Q9Y6L6 SLCO1B1 Solute carrier organic anion transporter family member 1B1 inhibitor transporters