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Ligand

NameCHEMBL2322857
Molecular formulaC18H20ClF3N4O2
IUPAC name1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
Molecular weight416.829
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP3.4
SynonymsBDBM50427096
SCHEMBL3464927
Inchi KeyABOUIZXLCVAWOB-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H20ClF3N4O2/c1-12-9-16(18(20,21)22)23-26(12)11-17(27)25-7-5-24(6-8-25)13-3-4-14(19)15(10-13)28-2/h3-4,9-10H,5-8,11H2,1-2H3
PubChem CID57840556
ChEMBLCHEMBL2322857
IUPHARN/A
BindingDB50427096
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
1045C-C chemokine receptor type 1P32246CCR1Homo sapiens (Human)355

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