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Ligand

NameCHEMBL1681868
Molecular formulaC25H33Cl2N5O
IUPAC name5-chloro-6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-methylpiperazin-1-yl]-N-ethylpyridine-3-carboxamide
Molecular weight490.473
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.5
SynonymsBDBM50337236
SCHEMBL13205694
(S)-5-chloro-6-(4-(1-(4-chlorobenzyl)piperidin-4-yl)-3-methylpiperazin-1-yl)-N-ethylnicotinamide
Inchi KeyAHGWRVSBIUYYIH-SFHVURJKSA-N
Inchi IDInChI=1S/C25H33Cl2N5O/c1-3-28-25(33)20-14-23(27)24(29-15-20)31-12-13-32(18(2)16-31)22-8-10-30(11-9-22)17-19-4-6-21(26)7-5-19/h4-7,14-15,18,22H,3,8-13,16-17H2,1-2H3,(H,28,33)/t18-/m0/s1
PubChem CID53322509
ChEMBLCHEMBL1681868
IUPHARN/A
BindingDB50337236
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
5533C-X-C chemokine receptor type 3P49682CXCR3Homo sapiens (Human)368

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