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Ligand

NameCHEMBL198562
Molecular formulaC30H30Cl2N4O3
IUPAC nameN-[2-[4-(3-cyanophenyl)phenyl]ethyl]-N-[2-(3,5-dichloroanilino)-2-oxoethyl]-3-[(3S)-3-hydroxypyrrolidin-1-yl]propanamide
Molecular weight565.495
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP4.7
SynonymsBDBM50174832
N-[2-(3''-cyano-biphenyl-4-yl)-ethyl]-N-[(3,5-dichloro-phenylcarbamoyl)-methyl]-3-((S)-3-hydroxy-pyrrolidin-1-yl)-propionamide
Inchi KeyBUGRTZMNHWAJRY-NDEPHWFRSA-N
Inchi IDInChI=1S/C30H30Cl2N4O3/c31-25-15-26(32)17-27(16-25)34-29(38)20-36(30(39)10-12-35-11-9-28(37)19-35)13-8-21-4-6-23(7-5-21)24-3-1-2-22(14-24)18-33/h1-7,14-17,28,37H,8-13,19-20H2,(H,34,38)/t28-/m0/s1
PubChem CID10281308
ChEMBLCHEMBL198562
IUPHARN/A
BindingDB50174832
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
33015Melanin-concentrating hormone receptor 1Q99705MCHR1Homo sapiens (Human)422
33014Melanin-concentrating hormone receptor 2Q969V1MCHR2Homo sapiens (Human)340

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