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Ligand

NameCHEMBL439392
Molecular formulaC33H40N6O3
IUPAC nameN-[(2S)-1-amino-3-(3-hydroxyphenyl)-1-oxopropan-2-yl]-6-[[2-(4-tert-butylphenyl)-5-pyridin-2-ylpyrazol-3-yl]amino]hexanamide
Molecular weight568.722
Hydrogen bond acceptor6
Hydrogen bond donor4
XlogP5.4
SynonymsBDBM50206402
N-((S)-1-amino-3-(3-hydroxyphenyl)-1-oxopropan-2-yl)-6-(1-(4-tert-butylphenyl)-3-(pyridin-2-yl)-1H-pyrazol-5-ylamino)hexanamide
Inchi KeyGRRMAMAFZKOWNW-LJAQVGFWSA-N
Inchi IDInChI=1S/C33H40N6O3/c1-33(2,3)24-14-16-25(17-15-24)39-30(22-28(38-39)27-12-6-8-18-35-27)36-19-7-4-5-13-31(41)37-29(32(34)42)21-23-10-9-11-26(40)20-23/h6,8-12,14-18,20,22,29,36,40H,4-5,7,13,19,21H2,1-3H3,(H2,34,42)(H,37,41)/t29-/m0/s1
PubChem CID44440752
ChEMBLCHEMBL439392
IUPHARN/A
BindingDB50206402
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
103689Lutropin-choriogonadotropic hormone receptorP22888LHCGRHomo sapiens (Human)699

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