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Ligand

NameCHEMBL93614
Molecular formulaC22H29NO2
IUPAC name3-[(3R,4R)-1-(2-hydroxy-3-phenylpropyl)-3,4-dimethylpiperidin-4-yl]phenol
Molecular weight339.479
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP4.5
Synonyms3-[(3R,4R)-1-(2-Hydroxy-3-phenylpropyl)-3,4-dimethyl-4-piperidinyl]phenol
3-[1-(2-Hydroxy-3-phenyl-propyl)-3,4-dimethyl-piperidin-4-yl]-phenol
BDBM50045766
Inchi KeyAPTJADCVFISWLZ-QNGGVGCWSA-N
Inchi IDInChI=1S/C22H29NO2/c1-17-15-23(16-21(25)13-18-7-4-3-5-8-18)12-11-22(17,2)19-9-6-10-20(24)14-19/h3-10,14,17,21,24-25H,11-13,15-16H2,1-2H3/t17-,21?,22+/m0/s1
PubChem CID9997334
ChEMBLCHEMBL93614
IUPHARN/A
BindingDB50045766
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
11347Kappa-type opioid receptorP33534Oprk1Mus musculus (Mouse)380
11348Kappa-type opioid receptorP34975Oprk1Rattus norvegicus (Rat)380
11350Kappa-type opioid receptorP41144OPRK1Cavia porcellus (Guinea pig)380
11346Mu-type opioid receptorP42866Oprm1Mus musculus (Mouse)398
11349Mu-type opioid receptorP33535Oprm1Rattus norvegicus (Rat)398

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