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Ligand

NameCHEMBL3613168
Molecular formulaC42H54N2O6S
IUPAC nameN-[(1R,9R,11S,14S,19S)-15-(cyclopropylmethyl)-4-hydroxy-15-azapentacyclo[9.6.2.01,9.02,7.09,14]nonadeca-2(7),3,5,12-tetraen-19-yl]-N-methyl-3-phenylpropanamide;(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonic acid
Molecular weight714.962
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogPNone
SynonymsN/A
Inchi KeyDXZGRYLXICSYEN-WWOYOULDSA-N
Inchi IDInChI=1S/C32H38N2O2.C10H16O4S/c1-33(30(36)14-9-22-5-3-2-4-6-22)28-20-31-15-16-34(21-23-7-8-23)29-13-11-25(28)19-32(29,31)18-24-10-12-26(35)17-27(24)31;1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14/h2-6,10-13,17,23,25,28-29,35H,7-9,14-16,18-21H2,1H3;7H,3-6H2,1-2H3,(H,12,13,14)/t25-,28+,29+,31-,32-;/m1./s1
PubChem CID122188795
ChEMBLCHEMBL3613168
IUPHARN/A
BindingDB50118179
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
Partition coefficient log P of this ligand is not available.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
471786Delta-type opioid receptorP32300Oprd1Mus musculus (Mouse)372
471785Kappa-type opioid receptorP33534Oprk1Mus musculus (Mouse)380
471784Mu-type opioid receptorP97266OPRM1Cavia porcellus (Guinea pig)98

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