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Ligand

NameCHEMBL1681884
Molecular formulaC27H34Cl2FN5O
IUPAC name5-chloro-6-[4-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-3-cyclopropylpiperazin-1-yl]-N-ethylpyridine-3-carboxamide
Molecular weight534.501
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP5.0
SynonymsSCHEMBL13205745
5-chloro-6-(4-(1-(4-chloro-2-fluorobenzyl)piperidin-4-yl)-3-cyclopropylpiperazin-1-yl)-N-ethylnicotinamide
BDBM50337253
Inchi KeyBNSISGSQGFUVIN-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H34Cl2FN5O/c1-2-31-27(36)20-13-23(29)26(32-15-20)34-11-12-35(25(17-34)18-3-4-18)22-7-9-33(10-8-22)16-19-5-6-21(28)14-24(19)30/h5-6,13-15,18,22,25H,2-4,7-12,16-17H2,1H3,(H,31,36)
PubChem CID53319882
ChEMBLCHEMBL1681884
IUPHARN/A
BindingDB50337253
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
28405C-X-C chemokine receptor type 3P49682CXCR3Homo sapiens (Human)368

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