OSI-632

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Synonyms
Status
Molecule Category Free-form
UNII W1B375O5M2
EPA CompTox DTXSID00179866

Structure

InChI Key HXHAJRMTJXHJJZ-UHFFFAOYSA-N
Smiles NC(=O)c1c(OCc2c(F)cc(Br)cc2F)nsc1NC(=O)NCCCCN1CCCC1
InChI
InChI=1S/C20H24BrF2N5O3S/c21-12-9-14(22)13(15(23)10-12)11-31-18-16(17(24)29)19(32-27-18)26-20(30)25-5-1-2-6-28-7-3-4-8-28/h9-10H,1-8,11H2,(H2,24,29)(H2,25,26,30)

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H24BrF2N5O3S
Molecular Weight 532.41
AlogP 3.86
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 10.0
Polar Surface Area 109.58
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 32.0

Pharmacology

Mechanism of Action Action Reference
Vascular endothelial growth factor receptor 2 inhibitor INHIBITOR PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase DDR family
- 24-450 422 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Tie family
- 18-620 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase VEGFR family
- 6-11 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 11-620 422 - -

Target Conservation

Protein: Vascular endothelial growth factor receptor 2
Description: Vascular endothelial growth factor receptor 2
Organism : Homo sapiens
P35968 ENSG00000128052

Cross References

Resources Reference
ChEMBL CHEMBL253969
DrugBank DB12962
FDA SRS W1B375O5M2
Guide to Pharmacology 7881
PDB BFF
SureChEMBL SCHEMBL187261
ZINC ZINC000003834191
CONTENTS