AZD5438   

GtoPdb Ligand ID: 8473

Synonyms: AZD 5438 | AZD-5438
Compound class: Synthetic organic
Comment: AZD5438 is a potent oral inhibitor of cyclin dependent kinases (CDKs) 1, 2 and 9 [1].
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 98.15
Molecular weight 371.14
XLogP 2.09
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CC(n1c(C)ncc1c1ccnc(n1)Nc1ccc(cc1)S(=O)(=O)C)C
Isomeric SMILES CC(n1c(C)ncc1c1ccnc(n1)Nc1ccc(cc1)S(=O)(=O)C)C
InChI InChI=1S/C18H21N5O2S/c1-12(2)23-13(3)20-11-17(23)16-9-10-19-18(22-16)21-14-5-7-15(8-6-14)26(4,24)25/h5-12H,1-4H3,(H,19,21,22)
InChI Key WJRRGYBTGDJBFX-UHFFFAOYSA-N
No information available.
Summary of Clinical Use
AZD5438 has reached Phase I clinical trial in patients with advanced solid malignancies (NCT00088790).
Mechanism Of Action and Pharmacodynamic Effects
Dysregulation of the CDK-driven pathway is common in tumour cells [2-4], making CDKs attractive anti-cancer molecular targets [5]. Due to the functional redundancy amongst CDKs and their cyclin binding partners compounds which target a range of CDKs are likely to be more clinically effective than selective CDK inhibitors. AZD5438 causes cell cycle arrest in vitro, which translates to an antiproliferative effect in vivo [1].