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Ligand

NameCHEMBL394160
Molecular formulaC29H40ClFN4O
IUPAC name[4-[2-[(1S)-1-amino-2-methylpropyl]-6-fluorophenyl]piperazin-1-yl]-[(3S,4R)-4-(4-chlorophenyl)-1-(2-methylpropyl)pyrrolidin-3-yl]methanone
Molecular weight515.114
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP5.1
SynonymsBDBM50224673
(4-(2-((S)-1-amino-2-methylpropyl)-6-fluorophenyl)piperazin-1-yl)((3S,4R)-4-(4-chlorophenyl)-1-isobutylpyrrolidin-3-yl)methanone
Inchi KeyAAQQSWWMBVNKIB-WEWMWRJBSA-N
Inchi IDInChI=1S/C29H40ClFN4O/c1-19(2)16-33-17-24(21-8-10-22(30)11-9-21)25(18-33)29(36)35-14-12-34(13-15-35)28-23(27(32)20(3)4)6-5-7-26(28)31/h5-11,19-20,24-25,27H,12-18,32H2,1-4H3/t24-,25+,27-/m0/s1
PubChem CID44433475
ChEMBLCHEMBL394160
IUPHARN/A
BindingDB50224673
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
447Melanocortin receptor 4P32245MC4RHomo sapiens (Human)332

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