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Ligand

NameCHEMBL266840
Molecular formulaC33H33ClFN5
IUPAC name3-[2-[(5-chloro-6-fluoro-1H-benzimidazol-2-yl)methyl]-1-[1-(cyclopropylmethyl)piperidin-4-yl]-3,4-dihydro-1H-isoquinolin-6-yl]benzonitrile
Molecular weight554.11
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP6.5
Synonyms3-(2-((6-chloro-5-fluoro-1H-benzo[d]imidazol-2-yl)methyl)-1-(1-(cyclopropylmethyl)piperidin-4-yl)-1,2,3,4-tetrahydroisoquinolin-6-yl)benzonitrile
BDBM50190873
Inchi KeyAKISUPSPJIOWRG-UHFFFAOYSA-N
Inchi IDInChI=1S/C33H33ClFN5/c34-28-16-30-31(17-29(28)35)38-32(37-30)20-40-13-10-26-15-25(24-3-1-2-22(14-24)18-36)6-7-27(26)33(40)23-8-11-39(12-9-23)19-21-4-5-21/h1-3,6-7,14-17,21,23,33H,4-5,8-13,19-20H2,(H,37,38)
PubChem CID44417061
ChEMBLCHEMBL266840
IUPHARN/A
BindingDB50190873
DrugBankN/A

Structure

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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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
7592Melanin-concentrating hormone receptor 1Q99705MCHR1Homo sapiens (Human)422

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