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Ligand

NameCHEMBL105827
Molecular formulaC30H33N3O6
IUPAC nameN-[(4aS,7aR)-3-(cyclopropylmethyl)-9-hydroxy-7a-methyl-7-oxo-1,2,4,5,6,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-yl]-3-(4-nitrophenyl)propanamide
Molecular weight531.609
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP3.4
SynonymsBDBM50033655
1N-[4-cyclopropylmethyl-10-hydroxy-13-methyl-14-oxo-(13R,17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-17-yl]-3-(4-nitrophenyl)propanamide
Inchi KeyPDLDCRKROORTJW-QSUQFICRSA-N
Inchi IDInChI=1S/C30H33N3O6/c1-28-24(35)12-13-30(31-25(36)11-6-18-4-8-21(9-5-18)33(37)38)23-16-20-7-10-22(34)27(39-28)26(20)29(28,30)14-15-32(23)17-19-2-3-19/h4-5,7-10,19,23,34H,2-3,6,11-17H2,1H3,(H,31,36)/t23?,28-,29?,30+/m0/s1
PubChem CID44337274
ChEMBLCHEMBL105827
IUPHARN/A
BindingDB50033655
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
257005Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
257004Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
257006Mu-type opioid receptorP79350OPRM1Bos taurus (Bovine)401

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