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Ligand

NameCHEMBL2322852
Molecular formulaC19H21Cl2F3N4O2
IUPAC name1-[(2R)-4-(4-chloro-3-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
Molecular weight465.298
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP4.4
SynonymsBDBM50427071
SCHEMBL2876487
Inchi KeyAVNJJXHDGSMSJP-LLVKDONJSA-N
Inchi IDInChI=1S/C19H21Cl2F3N4O2/c1-11-9-26(13-4-5-14(20)15(8-13)30-3)6-7-27(11)16(29)10-28-12(2)17(21)18(25-28)19(22,23)24/h4-5,8,11H,6-7,9-10H2,1-3H3/t11-/m1/s1
PubChem CID57840518
ChEMBLCHEMBL2322852
IUPHARN/A
BindingDB50427071
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
15421C-C chemokine receptor type 1P32246CCR1Homo sapiens (Human)355

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