AM095   Click here for help

GtoPdb Ligand ID: 6988

Synonyms: AM 095 | AM-095
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 101.66
Molecular weight 456.17
XLogP 6.23
No. Lipinski's rules broken 1
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Canonical SMILES OC(=O)Cc1ccc(cc1)c1ccc(cc1)c1onc(c1NC(=O)OC(c1ccccc1)C)C
Isomeric SMILES OC(=O)Cc1ccc(cc1)c1ccc(cc1)c1onc(c1NC(=O)O[C@@H](c1ccccc1)C)C
InChI InChI=1S/C27H24N2O5/c1-17-25(28-27(32)33-18(2)20-6-4-3-5-7-20)26(34-29-17)23-14-12-22(13-15-23)21-10-8-19(9-11-21)16-24(30)31/h3-15,18H,16H2,1-2H3,(H,28,32)(H,30,31)/t18-/m1/s1
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
LPA1 receptor Mm Antagonist Antagonist 6.1 pIC50 - 1
pIC50 6.1 (IC50 7.78x10-7 M) [1]
LPA1 receptor Primary target of this compound Hs Antagonist Antagonist 6.0 – 6.1 pIC50 - 1
pIC50 6.0 – 6.1 [1]