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Ligand

NameCHEMBL149795
Molecular formulaC29H36N2O2
IUPAC name3-[[(2R)-4-benzyl-2-(hydroxymethyl)piperazin-1-yl]-(4-tert-butylphenyl)methyl]phenol
Molecular weight444.619
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP5.5
SynonymsBDBM50084134
3-[((R)-4-Benzyl-2-hydroxymethyl-piperazin-1-yl)-(4-tert-butyl-phenyl)-methyl]-phenol
3-[(4-tert-Butylphenyl)[(2R)-2-(hydroxymethyl)-4-benzylpiperazino]methyl]phenol
Inchi KeyANLPBQYTVZSEEV-HSLSYKTRSA-N
Inchi IDInChI=1S/C29H36N2O2/c1-29(2,3)25-14-12-23(13-15-25)28(24-10-7-11-27(33)18-24)31-17-16-30(20-26(31)21-32)19-22-8-5-4-6-9-22/h4-15,18,26,28,32-33H,16-17,19-21H2,1-3H3/t26-,28?/m1/s1
PubChem CID10503458
ChEMBLCHEMBL149795
IUPHARN/A
BindingDB50084134
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
9665Delta-type opioid receptorP33533Oprd1Rattus norvegicus (Rat)372
9662Mu-type opioid receptorP33535Oprm1Rattus norvegicus (Rat)398
9663Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400
9664Mu-type opioid receptorP42866Oprm1Mus musculus (Mouse)398

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