AZD-5438

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 276Z913G29

Structure
InChI Key WJRRGYBTGDJBFX-UHFFFAOYSA-N
Smile 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

Action Mechanism of Action Reference
INHIBITOR Cyclin-dependent kinase inhibitor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase PKD family
- - 2314 - -
Enzyme Kinase Protein Kinase CK1 protein kinase group CK1 protein kinase CK1 family
- - 1169 - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CDK family CMGC protein kinase CDC2 subfamily
- 6-6.08 1992 - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CDK family CMGC protein kinase CDK5 subfamily
- 14 627 - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CDK family CMGC protein kinase CDK7 subfamily
- 821 2332 - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CDK family CMGC protein kinase CDK9 subfamily
- 12.15-20 1796000 - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase GSK family
- - 55 - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase MAPK family CMGC protein kinase JNK subfamily
- - 1676 - -
Enzyme Kinase Protein Kinase CMGC protein kinase group
- 6-6.08 1676 - -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase CK2 family
- - 1882 - -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase NAK family
- - 228 - -
Enzyme Kinase Protein Kinase TKL protein kinase group TKL protein kinase IRAK family
- - 771 - -
Enzyme Kinase Protein kinase regulatory subunit
- 14 - - -
Enzyme Transferase
- - - - 5.52-8.647
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - 9.16-12.11
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- 3200 - - -
Other cytosolic protein
- 12.15-20 1796000 - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Neoplasms 1 D009369 ClinicalTrials

Related Entries

Scaffolds

Cross References

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