AZD-4573

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Synonyms
Status
Molecule Category Free-form
UNII E5XSP3X68B

Structure

InChI Key AVIWDYSJSPOOAR-LSDHHAIUSA-N
Smiles CC(=O)N[C@@H]1CCC[C@H](C(=O)Nc2cc(-c3cnn4c3CC(C)(C)C4)c(Cl)cn2)C1
InChI
InChI=1S/C22H28ClN5O2/c1-13(29)26-15-6-4-5-14(7-15)21(30)27-20-8-16(18(23)11-24-20)17-10-25-28-12-22(2,3)9-19(17)28/h8,10-11,14-15H,4-7,9,12H2,1-3H3,(H,26,29)(H,24,27,30)/t14-,15+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H28ClN5O2
Molecular Weight 429.95
AlogP 3.81
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 88.91
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 30.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase CK1 protein kinase group CK1 protein kinase CK1 family
- - - - 94
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CDK family CMGC protein kinase CDC2 subfamily
- 23-370 - - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CDK family CMGC protein kinase CDK9 subfamily
13.7 13.4 0.0894 - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase DYRK family CMGC protein kinase Dyrk1 subfamily
- - - - 80
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase DYRK family CMGC protein kinase Dyrk2 subfamily
- - - - 85-100
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase GSK family
- 187-247 - - 96-104
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase MAPK family CMGC protein kinase JNK subfamily
- - - - 84-90
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase MAPK family
- - - - 84-90
Enzyme Kinase Protein Kinase CMGC protein kinase group
13.7 23-370 0.0894 - 96-104
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE20 family STE protein kinase MSN subfamily
- - - - 85
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE7 family
- - - - 85
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase InsR family
- - - - 83
Enzyme Kinase Protein Kinase TKL protein kinase group TKL protein kinase MLK family TKL protein kinase MLK subfamily
- - - - 82
Other cytosolic protein
- 52-117 0.0894 - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
13.7 13.4-499 0.0894 - 80-104

Cross References

Resources Reference
ChEMBL CHEMBL4462530
FDA SRS E5XSP3X68B
PDB Q6E
SureChEMBL SCHEMBL18338402
CONTENTS