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Ligand

NameCHEMBL497746
Molecular formulaC29H40ClFN4O2
IUPAC nameN-[(1S)-1-[2-[4-[(2R)-3-(4-chlorophenyl)-2-methylpropanoyl]piperazin-1-yl]-3-fluorophenyl]-2-methylpropyl]-3-(dimethylamino)propanamide
Molecular weight531.113
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP5.0
Synonyms1-{2-[(1S)-(3-Dimethylaminopropionamino)-2-methylpropyl]-6-fluorophenyl}-4-[(2R)-methyl-3-(4-chlorophenyl)propionyl]piperazine
BDBM50261195
Inchi KeyROSDSGGMKIYLIM-ZBLYBZFDSA-N
Inchi IDInChI=1S/C29H40ClFN4O2/c1-20(2)27(32-26(36)13-14-33(4)5)24-7-6-8-25(31)28(24)34-15-17-35(18-16-34)29(37)21(3)19-22-9-11-23(30)12-10-22/h6-12,20-21,27H,13-19H2,1-5H3,(H,32,36)/t21-,27+/m1/s1
PubChem CID44577060
ChEMBLCHEMBL497746
IUPHARN/A
BindingDB50261195
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 9
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
301467Growth hormone secretagogue receptor type 1Q92847GHSRHomo sapiens (Human)366
301465Melanocortin receptor 3P32244Mc3rRattus norvegicus (Rat)323
301470Melanocortin receptor 3P41968MC3RHomo sapiens (Human)323
301471Melanocortin receptor 3P33033Mc3rMus musculus (Mouse)323
301464Melanocortin receptor 4P32245MC4RHomo sapiens (Human)332
301469Melanocortin receptor 4P56450Mc4rMus musculus (Mouse)332
301472Melanocortin receptor 4P70596Mc4rRattus norvegicus (Rat)332
301466Melanocortin receptor 5P33032MC5RHomo sapiens (Human)325
301468Melanocyte-stimulating hormone receptorQ01726MC1RHomo sapiens (Human)317

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