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Ligand

NameCHEMBL247700
Molecular formulaC32H38N6O3
IUPAC nameN-[(1S)-2-amino-1-(4-hydroxyphenyl)-2-oxoethyl]-6-[[2-(4-tert-butylphenyl)-5-pyridin-2-ylpyrazol-3-yl]amino]hexanamide
Molecular weight554.695
Hydrogen bond acceptor6
Hydrogen bond donor4
XlogP5.1
SynonymsBDBM50206399
N-((S)-2-amino-1-(4-hydroxyphenyl)-2-oxoethyl)-6-(1-(4-tert-butylphenyl)-3-(pyridin-2-yl)-1H-pyrazol-5-ylamino)hexanamide
Inchi KeyKOCFRHIRGKMAQY-PMERELPUSA-N
Inchi IDInChI=1S/C32H38N6O3/c1-32(2,3)23-13-15-24(16-14-23)38-28(21-27(37-38)26-9-6-8-19-34-26)35-20-7-4-5-10-29(40)36-30(31(33)41)22-11-17-25(39)18-12-22/h6,8-9,11-19,21,30,35,39H,4-5,7,10,20H2,1-3H3,(H2,33,41)(H,36,40)/t30-/m0/s1
PubChem CID44440751
ChEMBLCHEMBL247700
IUPHARN/A
BindingDB50206399
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
173904Lutropin-choriogonadotropic hormone receptorP22888LHCGRHomo sapiens (Human)699

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