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Ligand

NameCHEMBL2322845
Molecular formulaC20H26Cl2N4O3
IUPAC name2-[4-chloro-3-(2-hydroxypropan-2-yl)-5-methylpyrazol-1-yl]-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone
Molecular weight441.353
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.8
SynonymsBDBM50427079
SCHEMBL3465789
Inchi KeyCOYLRJDCJLFLMR-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H26Cl2N4O3/c1-13-18(22)19(20(2,3)28)23-26(13)12-17(27)25-9-7-24(8-10-25)14-5-6-15(21)16(11-14)29-4/h5-6,11,28H,7-10,12H2,1-4H3
PubChem CID11351191
ChEMBLCHEMBL2322845
IUPHARN/A
BindingDB50427079
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
47124C-C chemokine receptor type 1P32246CCR1Homo sapiens (Human)355

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