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Ligand

NameCHEMBL393576
Molecular formulaC30H40Cl2FN5O2
IUPAC name1-[(2R)-1-[4-[2-[(1S)-1-(2-aminoethylamino)-3-methylbutyl]-6-fluorophenyl]piperazin-1-yl]-3-(2,4-dichlorophenyl)-1-oxopropan-2-yl]pyrrolidin-2-one
Molecular weight592.581
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP4.4
SynonymsBDBM50221120
1-((R)-1-(4-(2-((S)-1-(2-aminoethylamino)-3-methylbutyl)-6-fluorophenyl)piperazin-1-yl)-3-(2,4-dichlorophenyl)-1-oxopropan-2-yl)pyrrolidin-2-one
N-(1-aminoethyl)-N-[(1S)-(2-{4-[(2R)-(2-oxo-1-pyrrolidinyl)-3-(2,4-dichlorophenyl)propionyl]-1-piperazinyl}-3-fluorophenyl)-3-methylbutyl]amine
Inchi KeyCGANDSYNDFLFKG-RRPNLBNLSA-N
Inchi IDInChI=1S/C30H40Cl2FN5O2/c1-20(2)17-26(35-11-10-34)23-5-3-6-25(33)29(23)36-13-15-37(16-14-36)30(40)27(38-12-4-7-28(38)39)18-21-8-9-22(31)19-24(21)32/h3,5-6,8-9,19-20,26-27,35H,4,7,10-18,34H2,1-2H3/t26-,27+/m0/s1
PubChem CID24180646
ChEMBLCHEMBL393576
IUPHARN/A
BindingDB50221120
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
41141Growth hormone secretagogue receptor type 1Q92847GHSRHomo sapiens (Human)366
41143Melanocortin receptor 3P32244Mc3rRattus norvegicus (Rat)323
41144Melanocortin receptor 3P33033Mc3rMus musculus (Mouse)323
41146Melanocortin receptor 3P41968MC3RHomo sapiens (Human)323
41138Melanocortin receptor 4P32245MC4RHomo sapiens (Human)332
41139Melanocortin receptor 4P70596Mc4rRattus norvegicus (Rat)332
41145Melanocortin receptor 4P56450Mc4rMus musculus (Mouse)332
41142Melanocortin receptor 5P33032MC5RHomo sapiens (Human)325
41140Melanocyte-stimulating hormone receptorQ01726MC1RHomo sapiens (Human)317

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