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Ligand

NameSMR000201334
Molecular formulaC23H18N2O5S
IUPAC namedimethyl 2-(phenothiazine-10-carbonylamino)benzene-1,4-dicarboxylate
Molecular weight434.466
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.6
Synonymsdimethyl 2-[(10H-phenothiazin-10-ylcarbonyl)amino]benzene-1,4-dicarboxylate
AC1M34HP
MCULE-7862092892
ZINC2879286
CHEMBL1478050
[ Show all ]
Inchi KeyAIAQIIQCOWDGRT-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H18N2O5S/c1-29-21(26)14-11-12-15(22(27)30-2)16(13-14)24-23(28)25-17-7-3-5-9-19(17)31-20-10-6-4-8-18(20)25/h3-13H,1-2H3,(H,24,28)
PubChem CID2231332
ChEMBLCHEMBL1478050
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
6049Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371

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