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Ligand

NameMLS000699844
Molecular formulaC17H14N2O5
IUPAC name2-[2-(4-methyl-2-nitrophenoxy)ethyl]isoindole-1,3-dione
Molecular weight326.308
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP2.8
Synonyms2-(2-{2-nitro-4-methylphenoxy}ethyl)-1H-isoindole-1,3(2H)-dione
BDBM67247
Oprea1_302157
2-[2-(4-methyl-2-nitrophenoxy)ethyl]isoindole-1,3-dione
cid_824082
[ Show all ]
Inchi KeyAIWKKFFJZDQGND-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H14N2O5/c1-11-6-7-15(14(10-11)19(22)23)24-9-8-18-16(20)12-4-2-3-5-13(12)17(18)21/h2-7,10H,8-9H2,1H3
PubChem CID824082
ChEMBLCHEMBL1360149
IUPHARN/A
BindingDB67247
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
6593Apelin receptorP35414APLNRHomo sapiens (Human)380
6592Type-1 angiotensin II receptorP30556AGTR1Homo sapiens (Human)359

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