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Ligand

NameCHEMBL79443
Molecular formulaC29H32N2O3
IUPAC name(2S,21R)-22-(cyclohexylmethyl)-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5,7,9,15,17,19(25)-heptaene-2,16-diol
Molecular weight456.586
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP4.9
SynonymsBDBM50093784
[1,5-3H]-17-Cyclohexylmethyl-6,7-dehydro-4,5a -epoxy-3,14-dihydroxy-6,7-2,3-indolo-morphinan
Inchi KeyBUCQPZTYYWJXTA-DDFVDHOESA-N
Inchi IDInChI=1S/C29H32N2O3/c32-22-11-10-18-14-23-29(33)15-20-19-8-4-5-9-21(19)30-25(20)27-28(29,24(18)26(22)34-27)12-13-31(23)16-17-6-2-1-3-7-17/h4-5,8-11,17,23,27,30,32-33H,1-3,6-7,12-16H2/t23-,27?,28?,29-/m1/s1
PubChem CID44460395
ChEMBLCHEMBL79443
IUPHARN/A
BindingDB50093784
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
32922Delta-type opioid receptorP33533Oprd1Rattus norvegicus (Rat)372
32921Kappa-type opioid receptorP34975Oprk1Rattus norvegicus (Rat)380
32923Mu-type opioid receptorP33535Oprm1Rattus norvegicus (Rat)398

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