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Ligand

NameCHEMBL2147920
Molecular formulaC25H23F3N2O2
IUPAC name(1R,14S,15R)-25-methyl-9-(trifluoromethyl)-4,25-diazahexacyclo[13.7.3.01,14.03,12.05,10.017,22]pentacosa-3,5,7,9,11,17(22),18,20-octaene-14,20-diol
Molecular weight440.466
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP4.3
SynonymsCHEMBL2220032
BDBM50391607
Inchi KeyCQJGLYPYRSUYPN-WXFUMESZSA-N
Inchi IDInChI=1S/C25H23F3N2O2/c1-30-8-7-23-13-21-15(9-17-18(25(26,27)28)3-2-4-20(17)29-21)12-24(23,32)22(30)10-14-5-6-16(31)11-19(14)23/h2-6,9,11,22,31-32H,7-8,10,12-13H2,1H3/t22-,23-,24-/m1/s1
PubChem CID71456465
ChEMBLN/A
IUPHARN/A
BindingDB50391607
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
48130Delta-type opioid receptorP32300Oprd1Mus musculus (Mouse)372
48129Kappa-type opioid receptorP41144OPRK1Cavia porcellus (Guinea pig)380
48128Mu-type opioid receptorP42866Oprm1Mus musculus (Mouse)398

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