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Ligand

NameCHEMBL3338278
Molecular formulaC21H17ClN4O2
IUPAC name2-[1-[4-chloro-2-(pyrimidin-5-ylmethyl)phenyl]-6-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid
Molecular weight392.843
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.6
SynonymsBDBM50035070
Inchi KeyAIWCYXGPEABPFB-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H17ClN4O2/c1-13-2-4-18-16(8-20(27)28)11-26(21(18)25-13)19-5-3-17(22)7-15(19)6-14-9-23-12-24-10-14/h2-5,7,9-12H,6,8H2,1H3,(H,27,28)
PubChem CID118715184
ChEMBLCHEMBL3338278
IUPHARN/A
BindingDB50035070
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
441950Prostaglandin D2 receptor 2Q9Y5Y4PTGDR2Homo sapiens (Human)395

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