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Ligand

NameCHEMBL2419124
Molecular formulaC30H30ClN3O4
IUPAC nameN-[(4R,4aS,7S,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]-1-chloroisoquinoline-3-carboxamide
Molecular weight532.037
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP2.8
SynonymsBDBM50066285
SCHEMBL16293634
Inchi KeyAVWCTYGZQSFPNB-XKXSCJQESA-N
Inchi IDInChI=1S/C30H30ClN3O4/c31-27-19-4-2-1-3-17(19)13-21(32-27)28(36)33-20-9-10-30(37)23-14-18-7-8-22(35)25-24(18)29(30,26(20)38-25)11-12-34(23)15-16-5-6-16/h1-4,7-8,13,16,20,23,26,35,37H,5-6,9-12,14-15H2,(H,33,36)/t20-,23+,26-,29-,30+/m0/s1
PubChem CID72164179
ChEMBLCHEMBL2419124
IUPHARN/A
BindingDB50066285
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
15706Delta-type opioid receptorP32300Oprd1Mus musculus (Mouse)372
15708Kappa-type opioid receptorP33534Oprk1Mus musculus (Mouse)380
15707Mu-type opioid receptorP42866Oprm1Mus musculus (Mouse)398

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