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Ligand

NameCHEMBL2048178
Molecular formulaC18H15BrN2O4S
IUPAC name2-[2-[(2-bromo-3-methoxycarbonylphenyl)methylsulfanyl]benzimidazol-1-yl]acetic acid
Molecular weight435.292
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.0
SynonymsBDBM50387214
SCHEMBL5106494
Inchi KeyAPXYZEWWJGCRTL-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H15BrN2O4S/c1-25-17(24)12-6-4-5-11(16(12)19)10-26-18-20-13-7-2-3-8-14(13)21(18)9-15(22)23/h2-8H,9-10H2,1H3,(H,22,23)
PubChem CID69313615
ChEMBLCHEMBL2048178
IUPHARN/A
BindingDB50387214
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
11447Prostaglandin D2 receptor 2Q9Y5Y4PTGDR2Homo sapiens (Human)395

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