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Ligand

NameCHEMBL268938
Molecular formulaC33H25F4N5O
IUPAC name3-[4-[[5-fluoro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-[1-(1-methylpyrrole-2-carbonyl)piperidin-4-ylidene]methyl]phenyl]benzonitrile
Molecular weight583.591
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP6.5
SynonymsBDBM50186846
4''-{(5-fluoro-6-trifluoromethyl-1H-benzoimidazol-2-yl)-[1-(1-methyl-1H-pyrrole-2-carbonyl)-piperidin-4-ylidene]-methyl}-biphenyl-3-carbonitrile
Inchi KeyAIHZWBYMNAHLJI-UHFFFAOYSA-N
Inchi IDInChI=1S/C33H25F4N5O/c1-41-13-3-6-29(41)32(43)42-14-11-23(12-15-42)30(22-9-7-21(8-10-22)24-5-2-4-20(16-24)19-38)31-39-27-17-25(33(35,36)37)26(34)18-28(27)40-31/h2-10,13,16-18H,11-12,14-15H2,1H3,(H,39,40)
PubChem CID44413473
ChEMBLCHEMBL268938
IUPHARN/A
BindingDB50186846
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
6232Melanin-concentrating hormone receptor 1Q99705MCHR1Homo sapiens (Human)422
6231Melanin-concentrating hormone receptor 2Q969V1MCHR2Homo sapiens (Human)340

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