capivasertib   Click here for help

GtoPdb Ligand ID: 7709

Synonyms: AZD 5363 | AZD-5363 | AZD5363 | cc-638 | Truqap®
Approved drug PDB Ligand
capivasertib is an approved drug (FDA (2023))
Compound class: Synthetic organic
Comment: Capivasertib (AZD5363) was developed as an inhibitor of the AKT serine/threonine protein kinases [1], and was investigated as a potential therapeutic for solid and haematological malignancies. This compound is now included in AstaZeneca's Open Innovation Pharmacology Toolbox.
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 7
Hydrogen bond donors 4
Rotatable bonds 7
Topological polar surface area 120.16
Molecular weight 428.17
XLogP 2.44
No. Lipinski's rules broken 0
Click here for help
Canonical SMILES OCCC(c1ccc(cc1)Cl)NC(=O)C1(N)CCN(CC1)c1ncnc2c1cc[nH]2
Isomeric SMILES OCC[C@@H](c1ccc(cc1)Cl)NC(=O)C1(N)CCN(CC1)c1ncnc2c1cc[nH]2
InChI InChI=1S/C21H25ClN6O2/c22-15-3-1-14(2-4-15)17(6-12-29)27-20(30)21(23)7-10-28(11-8-21)19-16-5-9-24-18(16)25-13-26-19/h1-5,9,13,17,29H,6-8,10-12,23H2,(H,27,30)(H,24,25,26)/t17-/m0/s1
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (2023))
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
10668 capivasertib
Synonyms Click here for help
AZD 5363 | AZD-5363 | AZD5363 | cc-638 | Truqap®
Database Links Click here for help
CAS Registry No. 1143532-39-1
ChEMBL Ligand CHEMBL2325741
GtoPdb PubChem SID 223366042
PubChem CID 25227436
Search Google for chemical match using the InChIKey JDUBGYFRJFOXQC-KRWDZBQOSA-N
Search Google for chemicals with the same backbone JDUBGYFRJFOXQC
Search PubMed clinical trials capivasertib
Search PubMed titles capivasertib
Search PubMed titles/abstracts capivasertib
SynPHARM 80200 (in complex with AKT serine/threonine kinase 1)
UniChem Compound Search for chemical match using the InChIKey JDUBGYFRJFOXQC-KRWDZBQOSA-N
UniChem Connectivity Search for chemical match using the InChIKey JDUBGYFRJFOXQC-KRWDZBQOSA-N

Product suppliers

View disclaimer

AZD 5363 (links to external site)
Cat. No. 6978