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Ligand

NameDQCKKXVULJGBQN-UHFFFAOYSA-N
Molecular formulaC20H23NO4
IUPAC name3-(cyclopropylmethyl)-4a,9-dihydroxy-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
Molecular weight341.407
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP1.9
SynonymsNALTREXONE-HCl
Naltrexone base anhydrous
Trexan (Salt/Mix)
AC1L1I5A
CHEMBL36504
[ Show all ]
Inchi KeyDQCKKXVULJGBQN-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2
PubChem CID4428
ChEMBLN/A
IUPHARN/A
BindingDB86493
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
66177Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
66176Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
66178Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400
555732Nociceptin receptorP35377Oprl1Mus musculus (Mouse)367

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