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Ligand

NameCHEMBL600018
Molecular formulaC21H29N3O3
IUPAC name4-methyl-3-(4-methylpiperazin-1-yl)-7-(2-pyrrolidin-1-ylethoxy)chromen-2-one
Molecular weight371.481
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP2.5
SynonymsBDBM50307055
4-Methyl-3-(4-methylpiperazin-1-yl)-7-(2-(pyrrolidin-1-yl)-ethoxy)-2H-chromen-2-one
Inchi KeyBXEZEVZDFCXRLP-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H29N3O3/c1-16-18-6-5-17(26-14-13-23-7-3-4-8-23)15-19(18)27-21(25)20(16)24-11-9-22(2)10-12-24/h5-6,15H,3-4,7-14H2,1-2H3
PubChem CID45104946
ChEMBLCHEMBL600018
IUPHARN/A
BindingDB50307055
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
35024C-C chemokine receptor type 4P51679CCR4Homo sapiens (Human)360

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