AZD-7762

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Synonyms
Status
Molecule Category Free-form
UNII 5D822Y3L1H

Structure

InChI Key IAYGCINLNONXHY-LBPRGKRZSA-N
Smiles NC(=O)Nc1cc(-c2cccc(F)c2)sc1C(=O)N[C@H]1CCCNC1
InChI
InChI=1S/C17H19FN4O2S/c18-11-4-1-3-10(7-11)14-8-13(22-17(19)24)15(25-14)16(23)21-12-5-2-6-20-9-12/h1,3-4,7-8,12,20H,2,5-6,9H2,(H,21,23)(H3,19,22,24)/t12-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H19FN4O2S
Molecular Weight 362.43
AlogP 2.53
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 4.0
Polar Surface Area 96.25
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 25.0

Pharmacology

Mechanism of Action Action Reference
Serine/threonine-protein kinase Chk1 inhibitor INHIBITOR PubMed Other PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase CAMK1 family CAMK protein kinase CHK1 subfamily
10-280 5-7.89 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
10-280 5-7.89 - - -

Target Conservation

Protein: Serine/threonine-protein kinase Chk1
Description: Serine/threonine-protein kinase Chk1
Organism : Homo sapiens
O14757 ENSG00000149554

Cross References

Resources Reference
ChEBI 131156
ChEMBL CHEMBL2041933
DrugBank DB12242
FDA SRS 5D822Y3L1H
Guide to Pharmacology 7713
PDB YDJ
PubChem 11152667
SureChEMBL SCHEMBL1127614
ZINC ZINC000033359230
CONTENTS