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Ligand

NameCHEMBL317097
Molecular formulaC20H27NOS
IUPAC name3-[(3R,4R)-3,4-dimethyl-1-(3-thiophen-3-ylpropyl)piperidin-4-yl]phenol
Molecular weight329.502
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP5.1
Synonyms3-[(3R,4R)-3,4-Dimethyl-1-[3-(3-thienyl)propyl]-4-piperidinyl]phenol
3-[3,4-Dimethyl-1-(3-thiophen-3-yl-propyl)-piperidin-4-yl]-phenol
BDBM50045742
Inchi KeyDTCRXMSIIFTNHL-OXJNMPFZSA-N
Inchi IDInChI=1S/C20H27NOS/c1-16-14-21(10-4-5-17-8-12-23-15-17)11-9-20(16,2)18-6-3-7-19(22)13-18/h3,6-8,12-13,15-16,22H,4-5,9-11,14H2,1-2H3/t16-,20+/m0/s1
PubChem CID9818871
ChEMBLCHEMBL317097
IUPHARN/A
BindingDB50045742
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
68204Kappa-type opioid receptorP34975Oprk1Rattus norvegicus (Rat)380
68205Kappa-type opioid receptorP33534Oprk1Mus musculus (Mouse)380
68206Kappa-type opioid receptorP41144OPRK1Cavia porcellus (Guinea pig)380
68207Mu-type opioid receptorP33535Oprm1Rattus norvegicus (Rat)398
68208Mu-type opioid receptorP42866Oprm1Mus musculus (Mouse)398

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