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Ligand

NameSCHEMBL6118481
Molecular formulaC21H18N2O3S
IUPAC name6-[(5-methoxy-6-methyl-2-thiophen-3-ylindol-1-yl)methyl]pyridine-2-carboxylic acid
Molecular weight378.446
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.1
SynonymsCHEMBL3665574
BDBM119480
US8680120, 25-39
Inchi KeyCTPVPIPUPQBRGA-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H18N2O3S/c1-13-8-18-15(10-20(13)26-2)9-19(14-6-7-27-12-14)23(18)11-16-4-3-5-17(22-16)21(24)25/h3-10,12H,11H2,1-2H3,(H,24,25)
PubChem CID50907868
ChEMBLCHEMBL3665574
IUPHARN/A
BindingDB119480
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
50315Prostaglandin E2 receptor EP1 subtypeP70597Ptger1Rattus norvegicus (Rat)405

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