capivasertib   Click here for help

GtoPdb Ligand ID: 7709

Synonyms: AZD 5363 | AZD-5363 | AZD5363 | cc-638
PDB Ligand
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.
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2D Structure
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Physico-chemical Properties
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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
SMILES / InChI / InChIKey
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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
InChI Key JDUBGYFRJFOXQC-KRWDZBQOSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
4-amino-N-[(1S)-1-(4-chlorophenyl)-3-hydroxypropyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
International Nonproprietary Names Click here for help
INN number INN
10668 capivasertib
Synonyms Click here for help
AZD 5363 | AZD-5363 | AZD5363 | cc-638
Database Links Click here for help
CAS Registry No. 1143532-39-1
ChEMBL Ligand CHEMBL2325741
GtoPdb PubChem SID 223366042
PubChem CID 25227436
RCSB PDB Ligand 0XZ
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SynPHARM 80200 (in complex with AKT serine/threonine kinase 1)

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Tocris
AZD 5363
Cat. No. 6978