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Ligand

NameCHEMBL269261
Molecular formulaC36H46N6O3
IUPAC nameN-[(2S)-1-amino-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-oxopropan-2-yl]-5-[[2-(4-tert-butylphenyl)-5-pyridin-3-ylpyrazol-3-yl]amino]pentanamide
Molecular weight610.803
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP6.3
SynonymsBDBM50206403
N-((S)-1-amino-3-(4-tert-butoxyphenyl)-1-oxopropan-2-yl)-5-(1-(4-tert-butylphenyl)-3-(pyridin-3-yl)-1H-pyrazol-5-ylamino)pentanamide
Inchi KeyKHJHZZSDLXONLB-HKBQPEDESA-N
Inchi IDInChI=1S/C36H46N6O3/c1-35(2,3)27-14-16-28(17-15-27)42-32(23-30(41-42)26-10-9-20-38-24-26)39-21-8-7-11-33(43)40-31(34(37)44)22-25-12-18-29(19-13-25)45-36(4,5)6/h9-10,12-20,23-24,31,39H,7-8,11,21-22H2,1-6H3,(H2,37,44)(H,40,43)/t31-/m0/s1
PubChem CID44440750
ChEMBLCHEMBL269261
IUPHARN/A
BindingDB50206403
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
169190Lutropin-choriogonadotropic hormone receptorP22888LHCGRHomo sapiens (Human)699

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