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Ligand

NameCHEMBL98626
Molecular formulaC22H28ClNO
IUPAC name3-[(3R,4R)-1-[3-(3-chlorophenyl)propyl]-3,4-dimethylpiperidin-4-yl]phenol
Molecular weight357.922
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP6.1
SynonymsBDBM50045752
3-{1-[3-(3-Chloro-phenyl)-propyl]-3,4-dimethyl-piperidin-4-yl}-phenol
3-[(3R,4R)-3,4-Dimethyl-1-[3-(3-chlorophenyl)propyl]-4-piperidinyl]phenol
Inchi KeyBBSCFEZZINPKFM-HTAPYJJXSA-N
Inchi IDInChI=1S/C22H28ClNO/c1-17-16-24(12-5-7-18-6-3-9-20(23)14-18)13-11-22(17,2)19-8-4-10-21(25)15-19/h3-4,6,8-10,14-15,17,25H,5,7,11-13,16H2,1-2H3/t17-,22+/m0/s1
PubChem CID10338422
ChEMBLCHEMBL98626
IUPHARN/A
BindingDB50045752
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
19797Kappa-type opioid receptorP41144OPRK1Cavia porcellus (Guinea pig)380
19800Kappa-type opioid receptorP34975Oprk1Rattus norvegicus (Rat)380
19801Kappa-type opioid receptorP33534Oprk1Mus musculus (Mouse)380
19798Mu-type opioid receptorP33535Oprm1Rattus norvegicus (Rat)398
19799Mu-type opioid receptorP42866Oprm1Mus musculus (Mouse)398

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