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Ligand

NameCHEMBL3898394
Molecular formulaC27H31ClN2O5
IUPAC name3-(4-chlorophenyl)-3-[cyclobutyl-[[4-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]-3-methylphenyl]methyl]amino]propanoic acid
Molecular weight499.004
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP1.3
SynonymsBDBM249640
SCHEMBL15534566
US9447038, 68
Inchi KeyAJOMCHZZJNMEHT-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H31ClN2O5/c1-18-15-19(5-10-24(18)35-14-13-29-25(31)11-12-26(29)32)17-30(22-3-2-4-22)23(16-27(33)34)20-6-8-21(28)9-7-20/h5-10,15,22-23H,2-4,11-14,16-17H2,1H3,(H,33,34)
PubChem CID90015039
ChEMBLCHEMBL3898394
IUPHARN/A
BindingDB249640
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
536152C-X-C chemokine receptor type 3P49682CXCR3Homo sapiens (Human)368

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