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Ligand

NameCHEMBL472288
Molecular formulaC26H35Cl2N5O
IUPAC name5-chloro-6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N-ethylpyridine-3-carboxamide
Molecular weight504.5
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP5.1
Synonyms(S)-5-chloro-6-(4-(1-(4-chlorobenzyl)piperidin-4-yl)-3-ethylpiperazin-1-yl)-N-ethylnicotinamide
BDBM50337250
N-Ethyl-2-[3alpha-ethyl-4-[1-(4-chlorobenzyl)piperidine-4-yl]piperazine-1-yl]-3-chloropyridine-5-carboxamide
SCHEMBL13205647
Inchi KeyXQWKNLJIWOTOKT-QFIPXVFZSA-N
Inchi IDInChI=1S/C26H35Cl2N5O/c1-3-22-18-32(25-24(28)15-20(16-30-25)26(34)29-4-2)13-14-33(22)23-9-11-31(12-10-23)17-19-5-7-21(27)8-6-19/h5-8,15-16,22-23H,3-4,9-14,17-18H2,1-2H3,(H,29,34)/t22-/m0/s1
PubChem CID44592137
ChEMBLCHEMBL472288
IUPHARN/A
BindingDB50337250
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
398693C-X-C chemokine receptor type 3Q9JII9Cxcr3Rattus norvegicus (Rat)367
398694C-X-C chemokine receptor type 3P49682CXCR3Homo sapiens (Human)368
398695C-X-C chemokine receptor type 3O88410Cxcr3Mus musculus (Mouse)367

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