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Ligand

NameCHEMBL511773
Molecular formulaC31H34N2O3
IUPAC name(1S,2S,16R,24R)-25-(cyclopropylmethyl)-19-methoxy-17-oxa-14,25-diazaoctacyclo[16.9.1.15,9.01,16.02,24.04,15.022,28.014,29]nonacosa-4(15),5,7,9(29),18,20,22(28)-heptaen-2-ol
Molecular weight482.624
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.3
SynonymsBDBM50261727
(5R,9R,13S,14S)-17-Cyclopropylmethyl-6,7-didehydro-4,5-epoxy-3-methoxy-4'',5'',6'',7''-tetradehydro-azepino[3,2,1-hi]indolo[2'',1'':6,7]morphinan-14-ol
Inchi KeyCNRASBPTPOATLU-CTZUUEIXSA-N
Inchi IDInChI=1S/C31H34N2O3/c1-35-23-11-10-20-15-24-31(34)16-22-21-7-4-6-19-5-2-3-13-33(26(19)21)27(22)29-30(31,25(20)28(23)36-29)12-14-32(24)17-18-8-9-18/h4,6-7,10-11,18,24,29,34H,2-3,5,8-9,12-17H2,1H3/t24-,29+,30+,31-/m1/s1
PubChem CID24949689
ChEMBLCHEMBL511773
IUPHARN/A
BindingDB50261727
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: 7
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
46269Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
46270Delta-type opioid receptorP32300Oprd1Mus musculus (Mouse)372
46271Kappa-type opioid receptorP33534Oprk1Mus musculus (Mouse)380
46272Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
46273Kappa-type opioid receptorP41144OPRK1Cavia porcellus (Guinea pig)380
46268Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400
46274Mu-type opioid receptorP97266OPRM1Cavia porcellus (Guinea pig)98

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