MQ1   Click here for help

GtoPdb Ligand ID: 8587

Synonyms: compound (R)-10a [1] | MQ-1
Compound class: Synthetic organic
Comment: MQ1 is reported as a negative allosteric modulator (NAM) of the melanin-concentrating hormone receptor 1 (MCHR1) [1-2]. Antagonists and NAMs of MCHR1 are being investigated for their potential to provide anti-obesity therapies.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 54.46
Molecular weight 429.24
XLogP 4.76
No. Lipinski's rules broken 0
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Canonical SMILES O=C(c1ccc(cc1)OCC1CC1)Nc1ccc2c(c1C)ncc(c2)C(N1CCCC1)C
Isomeric SMILES O=C(c1ccc(cc1)OCC1CC1)Nc1ccc2c(c1C)ncc(c2)[C@H](N1CCCC1)C
InChI InChI=1S/C27H31N3O2/c1-18-25(29-27(31)21-7-10-24(11-8-21)32-17-20-5-6-20)12-9-22-15-23(16-28-26(18)22)19(2)30-13-3-4-14-30/h7-12,15-16,19-20H,3-6,13-14,17H2,1-2H3,(H,29,31)/t19-/m1/s1
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Molecular structure representations generated using Open Babel