SC-560   Click here for help

GtoPdb Ligand ID: 10240

Synonyms: SC560
Compound class: Synthetic organic
Comment: SC-560 is a selective COX-1 inhibitor [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 4
Topological polar surface area 26.53
Molecular weight 352.06
XLogP 5.53
No. Lipinski's rules broken 1
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Canonical SMILES COc1ccc(cc1)n1nc(cc1c1ccc(cc1)Cl)C(F)(F)F
Isomeric SMILES COc1ccc(cc1)n1nc(cc1c1ccc(cc1)Cl)C(F)(F)F
InChI InChI=1S/C17H12ClF3N2O/c1-24-14-8-6-13(7-9-14)23-15(10-16(22-23)17(19,20)21)11-2-4-12(18)5-3-11/h2-10H,1H3
Selectivity at enzymes
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
COX-1 Primary target of this compound Hs Inhibitor Inhibition 8.1 pIC50 - 1
pIC50 8.1 (IC50 9x10-9 M) [1]
COX-2 Hs Inhibitor Inhibition 5.2 pIC50 - 1
pIC50 5.2 (IC50 6.3x10-6 M) [1]