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Ligand

NameCHEMBL389996
Molecular formulaC23H17ClF2N2O3
IUPAC name6-[2-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyrazine-2-carboxylic acid
Molecular weight442.847
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.3
SynonymsSCHEMBL5620085
6-(2-(2-(2,4-difluorobenzyloxy)-5-chlorophenyl)cyclopent-1-enyl)pyrazine-2-carboxylic acid
BDBM50197896
Inchi KeyAGNDCABXSVNYAY-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H17ClF2N2O3/c24-14-5-7-22(31-12-13-4-6-15(25)9-19(13)26)18(8-14)16-2-1-3-17(16)20-10-27-11-21(28-20)23(29)30/h4-11H,1-3,12H2,(H,29,30)
PubChem CID21112869
ChEMBLCHEMBL389996
IUPHARN/A
BindingDBN/A
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
5040Prostaglandin E2 receptor EP1 subtypeP34995PTGER1Homo sapiens (Human)402

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