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Ligand

NameCHEMBL334511
Molecular formulaC31H35NO4
IUPAC name(1R,5S,14R)-1-methyl-6-(methylamino)-5-(3-phenylpropoxy)-14-propyl-11-prop-2-ynoxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-3,8(13),9,11-tetraen-2-one
Molecular weight485.624
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP5.1
SynonymsBDBM50133228
4,13-dimethyl-17-(3-phenylpropoxy)-10-(2-propynyloxy)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraen-14-one
Inchi KeyDVRSAVHYANYYAI-XJHIRHBFSA-N
Inchi IDInChI=1S/C31H35NO4/c1-5-17-30-27-23-14-15-24(34-19-6-2)28(27)36-29(30,3)26(33)16-18-31(30,25(21-23)32-4)35-20-10-13-22-11-8-7-9-12-22/h2,7-9,11-12,14-16,18,25,32H,5,10,13,17,19-21H2,1,3-4H3/t25?,29-,30-,31+/m0/s1
PubChem CID44355310
ChEMBLCHEMBL334511
IUPHARN/A
BindingDB50133228
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
70173Delta-type opioid receptorP33533Oprd1Rattus norvegicus (Rat)372
70172Kappa-type opioid receptorP34975Oprk1Rattus norvegicus (Rat)380
70171Mu-type opioid receptorP33535Oprm1Rattus norvegicus (Rat)398

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