AZD-5438

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Synonyms
Status
Molecule Category Free-form
UNII 276Z913G29

Structure

InChI Key WJRRGYBTGDJBFX-UHFFFAOYSA-N
Smiles Cc1ncc(-c2ccnc(Nc3ccc(S(C)(=O)=O)cc3)n2)n1C(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)

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H21N5O2S
Molecular Weight 371.47
AlogP 3.38
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 89.77
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 26.0

Pharmacology

Mechanism of Action Action Reference
Cyclin-dependent kinase inhibitor INHIBITOR PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CDK family CMGC protein kinase CDC2 subfamily
- 6-62 - - -
Enzyme Kinase Protein Kinase CMGC protein kinase group
- 6-62 - - -
Other cytosolic protein
- 6-45 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 45-800 - - -
Mus musculus
5-700 - - - -
Trypanosoma brucei
- 210 - - -
Trypanosoma brucei brucei
- 84-260 - - -

Cross References

Resources Reference
ChEBI 91419
ChEMBL CHEMBL488436
FDA SRS 276Z913G29
Guide to Pharmacology 8473
PDB FB8
PubChem 16747683
SureChEMBL SCHEMBL5092360
ZINC ZINC000040442496
CONTENTS