compound (R)-10h [PMID: 22490048]   Click here for help

GtoPdb Ligand ID: 7754

Compound class: Synthetic organic
Comment: This is compound 10h in [1], where the full name of the compound is stated as N-{3-[(1R)-1-{[2-(acetylamino)ethyl]amino}ethyl]-8-methylquinolin-7-yl}-4-(cyclopropylmethoxy)benzamide. It is a potent antagonist of the MCH1 receptor.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 12
Topological polar surface area 92.35
Molecular weight 460.25
XLogP 3.51
No. Lipinski's rules broken 0
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Canonical SMILES CC(=O)NCCNC(c1cnc2c(c1)ccc(c2C)NC(=O)c1ccc(cc1)OCC1CC1)C
Isomeric SMILES CC(=O)NCCN[C@@H](c1cnc2c(c1)ccc(c2C)NC(=O)c1ccc(cc1)OCC1CC1)C
InChI InChI=1S/C27H32N4O3/c1-17-25(31-27(33)21-6-9-24(10-7-21)34-16-20-4-5-20)11-8-22-14-23(15-30-26(17)22)18(2)28-12-13-29-19(3)32/h6-11,14-15,18,20,28H,4-5,12-13,16H2,1-3H3,(H,29,32)(H,31,33)/t18-/m1/s1
Selectivity at GPCRs
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
MCH1 receptor Primary target of this compound Hs Antagonist Antagonist 8.8 pIC50 - 1
pIC50 8.8 (IC50 1.58x10-9 M) [1]