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Ligand

NameCHEMBL2322869
Molecular formulaC20H24Cl2F3N5O2
IUPAC name2-[4-chloro-5-[(dimethylamino)methyl]-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone
Molecular weight494.34
Hydrogen bond acceptor8
Hydrogen bond donor0
XlogP3.5
SynonymsBDBM50427084
SCHEMBL3464876
Inchi KeyAREUOMXQUXCLHD-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H24Cl2F3N5O2/c1-27(2)11-15-18(22)19(20(23,24)25)26-30(15)12-17(31)29-8-6-28(7-9-29)13-4-5-14(21)16(10-13)32-3/h4-5,10H,6-9,11-12H2,1-3H3
PubChem CID57840515
ChEMBLCHEMBL2322869
IUPHARN/A
BindingDB50427084
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
12384C-C chemokine receptor type 1P32246CCR1Homo sapiens (Human)355

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