SU-9516

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: FD2SWT2SDI

Structure
InChI Key QNUKRWAIZMBVCU-WCIBSUBMSA-N
Smile 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

Action Mechanism of Action Reference
INHIBITOR Cyclin-dependent kinase 2 inhibitor PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CDK family CMGC protein kinase CDC2 subfamily
- 22-25000 - - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CDK family CMGC protein kinase CDK5 subfamily
- 22 - - -
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 CDK family CMGC protein kinase CDK9 subfamily
- 1500 - - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase GSK family
- 350 - - -
Enzyme Kinase Protein Kinase CMGC protein kinase group
- 22-25000 - - -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase PEK family Other protein kinase PKR
- 5000 - - -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase TLK family
- 240-560 - - 57
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase PDGFR family
- 18000 - - 93
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Ret family
- 1600 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Src family
- 11000 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Trk family
- - - - 96
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase VEGFR family
- 130 - - -
Enzyme Kinase Protein kinase regulatory subunit
- 22 - - -
Enzyme Transferase
- - - - 18.22-26.68
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - 0.17-36.67
Other cytosolic protein
1250 1500 - - -
Unclassified protein
- 905 - - -

Related Entries

Scaffolds

Cross References

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