SU-9516

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Synonyms
Status
Molecule Category Free-form
UNII FD2SWT2SDI

Structure

InChI Key QNUKRWAIZMBVCU-WCIBSUBMSA-N
Smiles COc1ccc2c(c1)/C(=C/c1cnc[nH]1)C(=O)N2
InChI
InChI=1S/C13H11N3O2/c1-18-9-2-3-12-10(5-9)11(13(17)16-12)4-8-6-14-7-15-8/h2-7H,1H3,(H,14,15)(H,16,17)/b11-4-

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H11N3O2
Molecular Weight 241.25
AlogP 1.91
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 67.01
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 18.0

Pharmacology

Mechanism of Action Action Reference
Cyclin-dependent kinase 2 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
- 22-168 - - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CDK family CMGC protein kinase CDK5 subfamily
- 22-65 - - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CDK family CMGC protein kinase CDK7 subfamily
- 905 - - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase GSK family
- 350 - - -
Enzyme Kinase Protein Kinase CMGC protein kinase group
- 22-168 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase VEGFR family
- 130 - - -
Enzyme Kinase Protein kinase regulatory subunit
- 22 - - -
Other cytosolic protein
- 22-905 - - -
Unclassified protein
- 905 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Escherichia coli
- 352 - - -
Homo sapiens
- 22-905 - - -
Trypanosoma brucei
180 - - - -

Target Conservation

Protein: Cyclin-dependent kinase 2
Description: Cyclin-dependent kinase 2
Organism : Homo sapiens
P24941 ENSG00000123374

Cross References

Resources Reference
ChEMBL CHEMBL258805
DrugBank DB03428
FDA SRS FD2SWT2SDI
Guide to Pharmacology 6045
PDB SU9
PubChem 5289419
SureChEMBL SCHEMBL1170686
ZINC ZINC000014806879
CONTENTS