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Ligand

NameCHEMBL379297
Molecular formulaC24H23N3
IUPAC name3-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine
Molecular weight353.469
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP4.7
Synonyms3-(1-acenaphthen-1-yl-piperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine
BDBM50185800
SCHEMBL5147562
3-(1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine
AWKSCYYXWJOSAA-UHFFFAOYSA-N
Inchi KeyAWKSCYYXWJOSAA-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H23N3/c1-4-17-5-2-7-20-22(14-18(6-1)23(17)20)27-12-9-16(10-13-27)21-15-26-24-19(21)8-3-11-25-24/h1-8,11,15-16,22H,9-10,12-14H2,(H,25,26)
PubChem CID16007142
ChEMBLCHEMBL379297
IUPHARN/A
BindingDB50185800
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
16128Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
16129Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
16127Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400
16126Nociceptin receptorP41146OPRL1Homo sapiens (Human)370

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