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Ligand

NameCHEMBL1681882
Molecular formulaC26H34Cl2FN5O
IUPAC name5-chloro-6-[(3S)-4-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N-ethylpyridine-3-carboxamide
Molecular weight522.49
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP5.2
SynonymsSCHEMBL13205646
BDBM50337251
(S)-5-chloro-6-(4-(1-(4-chloro-2-fluorobenzyl)piperidin-4-yl)-3-ethylpiperazin-1-yl)-N-ethylnicotinamide
Inchi KeyLXEUJQNDOXTGHH-NRFANRHFSA-N
Inchi IDInChI=1S/C26H34Cl2FN5O/c1-3-21-17-33(25-23(28)13-19(15-31-25)26(35)30-4-2)11-12-34(21)22-7-9-32(10-8-22)16-18-5-6-20(27)14-24(18)29/h5-6,13-15,21-22H,3-4,7-12,16-17H2,1-2H3,(H,30,35)/t21-/m0/s1
PubChem CID11569938
ChEMBLCHEMBL1681882
IUPHARN/A
BindingDB50337251
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
198669C-X-C chemokine receptor type 3P49682CXCR3Homo sapiens (Human)368
198670C-X-C chemokine receptor type 3Q9JII9Cxcr3Rattus norvegicus (Rat)367
198671C-X-C chemokine receptor type 3O88410Cxcr3Mus musculus (Mouse)367

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