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Ligand

NameCHEMBL1760086
Molecular formulaC26H29ClN2O4
IUPAC name3-chloro-N-[[(3S,4R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(furan-2-yl)pyrrolidin-3-yl]methyl]benzamide
Molecular weight468.978
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.6
SynonymsBDBM50340172
rac-3-chloro-N-(((3S,4R)-1-(3,4-dimethoxyphenethyl)-4-(furan-2-yl)pyrrolidin-3-yl)methyl)benzamide
Inchi KeyAIQNUPQVDMPEKY-UNMCSNQZSA-N
Inchi IDInChI=1S/C26H29ClN2O4/c1-31-24-9-8-18(13-25(24)32-2)10-11-29-16-20(22(17-29)23-7-4-12-33-23)15-28-26(30)19-5-3-6-21(27)14-19/h3-9,12-14,20,22H,10-11,15-17H2,1-2H3,(H,28,30)/t20-,22-/m0/s1
PubChem CID54586798
ChEMBLCHEMBL1760086
IUPHARN/A
BindingDB50340172
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
6460Melanin-concentrating hormone receptor 1Q99705MCHR1Homo sapiens (Human)422

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