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Ligand

NameCHEMBL403459
Molecular formulaC20H18ClNO3
IUPAC name1-[(5-chloro-2-phenylmethoxyphenyl)methyl]-5-methylpyrrole-3-carboxylic acid
Molecular weight355.818
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP4.3
SynonymsBDBM50423568
SCHEMBL5469113
Inchi KeyBEPSWSOFMIKFDW-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H18ClNO3/c1-14-9-17(20(23)24)12-22(14)11-16-10-18(21)7-8-19(16)25-13-15-5-3-2-4-6-15/h2-10,12H,11,13H2,1H3,(H,23,24)
PubChem CID44455299
ChEMBLCHEMBL403459
IUPHARN/A
BindingDB50423568
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
21797Prostaglandin E2 receptor EP1 subtypeP34995PTGER1Homo sapiens (Human)402

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