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Ligand

NameCHEMBL198604
Molecular formulaC34H49N3O2
IUPAC name1'-(cyclooctylmethyl)-1-[3-[ethyl-[(4-methylphenyl)methyl]amino]-2-hydroxypropyl]spiro[indole-3,4'-piperidine]-2-one
Molecular weight531.785
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP6.4
SynonymsSCHEMBL13480081
1''-cyclooctylmethyl-1-[3-ethyl(4-methylbenzyl)amino-2-hydroxypropyl]spiro[2,3-dihydro-1H-indole-3,4''-(hexahydropyridine)]-2-one
BDBM50173269
Inchi KeyAYCGNXRJKLUATE-UHFFFAOYSA-N
Inchi IDInChI=1S/C34H49N3O2/c1-3-35(23-29-17-15-27(2)16-18-29)25-30(38)26-37-32-14-10-9-13-31(32)34(33(37)39)19-21-36(22-20-34)24-28-11-7-5-4-6-8-12-28/h9-10,13-18,28,30,38H,3-8,11-12,19-26H2,1-2H3
PubChem CID15982791
ChEMBLCHEMBL198604
IUPHARN/A
BindingDB50173269
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
17325Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
17327Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
17326Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400
17324Nociceptin receptorP41146OPRL1Homo sapiens (Human)370

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