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Ligand

NameCHEMBL3394753
Molecular formulaC35H51FN4O4
IUPAC name8-(cyclooctylmethyl)-3-[(2S)-3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropyl]-1-(4-fluorophenyl)-1,3,8-triazaspiro[4.5]decan-4-one
Molecular weight610.815
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP6.2
SynonymsBDBM50060893
Inchi KeyABBBAYMZEUIFIL-HKBQPEDESA-N
Inchi IDInChI=1S/C35H51FN4O4/c1-43-32-15-10-27(22-33(32)44-2)16-19-37-23-31(41)25-39-26-40(30-13-11-29(36)12-14-30)35(34(39)42)17-20-38(21-18-35)24-28-8-6-4-3-5-7-9-28/h10-15,22,28,31,37,41H,3-9,16-21,23-26H2,1-2H3/t31-/m0/s1
PubChem CID118726271
ChEMBLCHEMBL3394753
IUPHARN/A
BindingDB50060893
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
441696Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
441698Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400
441697Nociceptin receptorP41146OPRL1Homo sapiens (Human)370

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