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Ligand

NameCHEMBL232441
Molecular formulaC24H24ClFN4O4
IUPAC name3-amino-4-[5-chloro-2-[2-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-2-oxoethoxy]anilino]cyclobut-3-ene-1,2-dione
Molecular weight486.928
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP2.8
SynonymsBDBM50210977
SCHEMBL18776060
(R)-3-(2-(2-(4-(4-fluorobenzyl)-2-methylpiperazin-1-yl)-2-oxoethoxy)-5-chlorophenylamino)-4-aminocyclobut-3-ene-1,2-dione
Inchi KeySVZACGGDLRYGPX-CQSZACIVSA-N
Inchi IDInChI=1S/C24H24ClFN4O4/c1-14-11-29(12-15-2-5-17(26)6-3-15)8-9-30(14)20(31)13-34-19-7-4-16(25)10-18(19)28-22-21(27)23(32)24(22)33/h2-7,10,14,28H,8-9,11-13,27H2,1H3/t14-/m1/s1
PubChem CID17753030
ChEMBLCHEMBL232441
IUPHARN/A
BindingDB50210977
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
324652C-C chemokine receptor type 1P32246CCR1Homo sapiens (Human)355
324653C-C chemokine receptor type 1P51675Ccr1Mus musculus (Mouse)355

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