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Ligand

NameCHEMBL366275
Molecular formulaC23H30N4O3S
IUPAC name(3S)-3-[[5-(4-hydroxyphenyl)thiophene-2-carbonyl]-methylamino]-N-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]pyrrolidine-1-carboxamide
Molecular weight442.578
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.6
SynonymsBDBM50168604
(S)-3-{[5-(4-Hydroxy-phenyl)-thiophene-2-carbonyl]-methyl-amino}-pyrrolidine-1-carboxylic acid methyl-((R)-1-methyl-pyrrolidin-3-yl)-amide
Inchi KeyACAQLIGFZSPXGR-MSOLQXFVSA-N
Inchi IDInChI=1S/C23H30N4O3S/c1-24-12-10-17(14-24)26(3)23(30)27-13-11-18(15-27)25(2)22(29)21-9-8-20(31-21)16-4-6-19(28)7-5-16/h4-9,17-18,28H,10-15H2,1-3H3/t17-,18+/m1/s1
PubChem CID44397203
ChEMBLCHEMBL366275
IUPHARN/A
BindingDB50168604
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
1377Melanin-concentrating hormone receptor 1Q99705MCHR1Homo sapiens (Human)422

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