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Ligand

NameMLS001035334
Molecular formulaC19H18N2O7
IUPAC name[2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)acetate
Molecular weight386.36
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP1.9
SynonymsSMR000664541
2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)acetic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester
CHEMBL1592181
MCULE-8696877083
STK252950
[ Show all ]
Inchi KeyCXQJULGCQBTONZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H18N2O7/c1-11-6-7-12(8-15(11)21(26)27)16(22)10-28-17(23)9-20-18(24)13-4-2-3-5-14(13)19(20)25/h2-3,6-8,13-14H,4-5,9-10H2,1H3
PubChem CID2899190
ChEMBLCHEMBL1592181
IUPHARN/A
BindingDB67372
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
53028Apelin receptorP35414APLNRHomo sapiens (Human)380
53029Type-1 angiotensin II receptorP30556AGTR1Homo sapiens (Human)359

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