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Ligand

NameCHEMBL1681848
Molecular formulaC29H31Cl2F2N5O
IUPAC name5-chloro-6-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide
Molecular weight574.498
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP5.4
Synonyms5-chloro-6-(4-(1-(4-chlorobenzyl)piperidin-4-yl)piperazin-1-yl)-N-(3,4-difluorobenzyl)nicotinamide
BDBM50337217
SCHEMBL13205857
Inchi KeyFMYKWJDOTAPBPQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H31Cl2F2N5O/c30-23-4-1-20(2-5-23)19-36-9-7-24(8-10-36)37-11-13-38(14-12-37)28-25(31)16-22(18-34-28)29(39)35-17-21-3-6-26(32)27(33)15-21/h1-6,15-16,18,24H,7-14,17,19H2,(H,35,39)
PubChem CID53322504
ChEMBLCHEMBL1681848
IUPHARN/A
BindingDB50337217
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
82374C-X-C chemokine receptor type 3Q9JII9Cxcr3Rattus norvegicus (Rat)367
82375C-X-C chemokine receptor type 3P49682CXCR3Homo sapiens (Human)368
82376C-X-C chemokine receptor type 3O88410Cxcr3Mus musculus (Mouse)367

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