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Ligand

NameCHEMBL1681849
Molecular formulaC30H33Cl2F2N5O
IUPAC name5-chloro-6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-methylpiperazin-1-yl]-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide
Molecular weight588.525
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP5.9
Synonyms(S)-5-chloro-6-(4-(1-(4-chlorobenzyl)piperidin-4-yl)-3-methylpiperazin-1-yl)-N-(3,4-difluorobenzyl)nicotinamide
BDBM50337218
SCHEMBL13205673
Inchi KeyKXOXGMSSGWQNPP-FQEVSTJZSA-N
Inchi IDInChI=1S/C30H33Cl2F2N5O/c1-20-18-38(12-13-39(20)25-8-10-37(11-9-25)19-21-2-5-24(31)6-3-21)29-26(32)15-23(17-35-29)30(40)36-16-22-4-7-27(33)28(34)14-22/h2-7,14-15,17,20,25H,8-13,16,18-19H2,1H3,(H,36,40)/t20-/m0/s1
PubChem CID53318560
ChEMBLCHEMBL1681849
IUPHARN/A
BindingDB50337218
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
180642C-X-C chemokine receptor type 3P49682CXCR3Homo sapiens (Human)368
180643C-X-C chemokine receptor type 3Q9JII9Cxcr3Rattus norvegicus (Rat)367
180644C-X-C chemokine receptor type 3O88410Cxcr3Mus musculus (Mouse)367

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