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.
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
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
Click here for help
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
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Synonyms Click here for help
compound (R)-10a [1] | MQ-1
Database Links Click here for help
Specialist databases
GPCRdb Ligand MQ1
Other databases
ChEMBL Ligand CHEMBL2059420
GtoPdb PubChem SID 252166788
PubChem CID 57521365
Search Google for chemical match using the InChIKey DFWKNBVJNXPUBW-LJQANCHMSA-N
Search Google for chemicals with the same backbone DFWKNBVJNXPUBW
UniChem Compound Search for chemical match using the InChIKey DFWKNBVJNXPUBW-LJQANCHMSA-N
UniChem Connectivity Search for chemical match using the InChIKey DFWKNBVJNXPUBW-LJQANCHMSA-N