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Ligand

NameSCHEMBL1940119
Molecular formulaC19H19ClN2O4S
IUPAC name2-[1-[(2-chloro-4-ethylsulfonylphenyl)methyl]-2-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid
Molecular weight406.881
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.0
Synonyms[1-(2-Chloro-4-ethanesulfonyl-benzyl)-2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yI]-acetic acid
CHEMBL3931906
[1-(2-Chloro-4-ethanesulfonyl-benzyl)-2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl]-acetic acid
ABSJDZWNXDCDKP-UHFFFAOYSA-N
Inchi KeyABSJDZWNXDCDKP-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H19ClN2O4S/c1-3-27(25,26)14-7-6-13(17(20)9-14)11-22-12(2)16(10-18(23)24)15-5-4-8-21-19(15)22/h4-9H,3,10-11H2,1-2H3,(H,23,24)
PubChem CID11704178
ChEMBLCHEMBL3931906
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
535944Prostaglandin D2 receptor 2Q9Y5Y4PTGDR2Homo sapiens (Human)395

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