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Ligand

NameCHEMBL2322851
Molecular formulaC18H20Cl2N4O4
IUPAC name4-chloro-1-[2-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-methylpyrazole-3-carboxylic acid
Molecular weight427.282
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP2.9
SynonymsBDBM50427072
SCHEMBL3463862
Inchi KeyCCAQOZWYQVEECM-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H20Cl2N4O4/c1-11-16(20)17(18(26)27)21-24(11)10-15(25)23-7-5-22(6-8-23)12-3-4-13(19)14(9-12)28-2/h3-4,9H,5-8,10H2,1-2H3,(H,26,27)
PubChem CID57840210
ChEMBLCHEMBL2322851
IUPHARN/A
BindingDB50427072
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
38401C-C chemokine receptor type 1P32246CCR1Homo sapiens (Human)355

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