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Ligand

NameSCHEMBL9880436
Molecular formulaC25H28N2O7
IUPAC name(4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,7,9-trihydroxy-N-[(3S)-2-oxooxolan-3-yl]-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-6-carboxamide
Molecular weight468.506
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP1.3
SynonymsCHEMBL3679614
BDBM102408
US8536192, I-145
Inchi KeyAPQZOVJQCWIGKJ-MHKQZNSJSA-N
Inchi IDInChI=1S/C25H28N2O7/c28-16-4-3-13-9-17-25(32)10-14(22(30)26-15-5-8-33-23(15)31)19(29)21-24(25,18(13)20(16)34-21)6-7-27(17)11-12-1-2-12/h3-4,12,15,17,21,28-29,32H,1-2,5-11H2,(H,26,30)/t15-,17+,21-,24-,25+/m0/s1
PubChem CID57822230
ChEMBLCHEMBL3679614
IUPHARN/A
BindingDB102408
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
11262Delta-type opioid receptorP33533Oprd1Rattus norvegicus (Rat)372
11261Mu-type opioid receptorP33535Oprm1Rattus norvegicus (Rat)398

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