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Ligand

NameCHEMBL97509
Molecular formulaC21H33NO
IUPAC name3-[(3R,4R)-1-(2-cyclohexylethyl)-3,4-dimethylpiperidin-4-yl]phenol
Molecular weight315.501
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP6.2
Synonyms3-[(3R,4R)-1-(2-Cyclohexylethyl)-3,4-dimethyl-4-piperidinyl]phenol
3-[1-(2-Cyclohexyl-ethyl)-3,4-dimethyl-piperidin-4-yl]-phenol
BDBM50045778
ZINC13833041
Inchi KeyBJKXRIMJMHAGSP-LAUBAEHRSA-N
Inchi IDInChI=1S/C21H33NO/c1-17-16-22(13-11-18-7-4-3-5-8-18)14-12-21(17,2)19-9-6-10-20(23)15-19/h6,9-10,15,17-18,23H,3-5,7-8,11-14,16H2,1-2H3/t17-,21+/m0/s1
PubChem CID9884847
ChEMBLCHEMBL97509
IUPHARN/A
BindingDB50045778
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: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
25229Kappa-type opioid receptorP41144OPRK1Cavia porcellus (Guinea pig)380
25231Kappa-type opioid receptorP34975Oprk1Rattus norvegicus (Rat)380
25233Kappa-type opioid receptorP33534Oprk1Mus musculus (Mouse)380
25230Mu-type opioid receptorP33535Oprm1Rattus norvegicus (Rat)398
25232Mu-type opioid receptorP42866Oprm1Mus musculus (Mouse)398

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