AG-11/03   Click here for help

GtoPdb Ligand ID: 5832

Synonyms: AG-11/03 [benzimidazole derivative] | STK220090
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 117.61
Molecular weight 359.08
XLogP 3.2
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES COc1ccc2c(c1)nc([nH]2)SCC(=O)Nc1ccc(cc1)SC
Isomeric SMILES COc1ccc2c(c1)nc([nH]2)SCC(=O)Nc1ccc(cc1)SC
InChI InChI=1S/C17H17N3O2S2/c1-22-12-5-8-14-15(9-12)20-17(19-14)24-10-16(21)18-11-3-6-13(23-2)7-4-11/h3-9H,10H2,1-2H3,(H,18,21)(H,19,20)
InChI Key FKTAXVGJKVSANI-UHFFFAOYSA-N
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
FPR1 Hs Agonist Full agonist 5.6 pEC50 - 1
pEC50 5.6 [1]