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Ligand

NameCHEMBL110238
Molecular formulaC26H23N3O6
IUPAC name(E)-N-[(4aS,7aR)-9-hydroxy-3-methyl-7-oxo-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-yl]-3-(4-nitrophenyl)prop-2-enamide
Molecular weight473.485
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP2.7
Synonyms1N-[10-hydroxy-4-methyl-14-oxo-(13R,17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraen-17-yl]-4-(4-nitrophenyl)-(Z)-2-butenamide
BDBM50033651
Inchi KeyJOJXGDIGJKCTPG-RNWHYHCYSA-N
Inchi IDInChI=1S/C26H23N3O6/c1-28-13-12-25-22-16-5-8-18(30)23(22)35-24(25)19(31)10-11-26(25,20(28)14-16)27-21(32)9-4-15-2-6-17(7-3-15)29(33)34/h2-11,20,24,30H,12-14H2,1H3,(H,27,32)/b9-4+/t20?,24-,25?,26+/m0/s1
PubChem CID44337344
ChEMBLCHEMBL110238
IUPHARN/A
BindingDBN/A
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
155940Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
155939Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
155938Mu-type opioid receptorP79350OPRM1Bos taurus (Bovine)401

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