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Ligand

NameMLS000923770
Molecular formulaC20H18N2O7
IUPAC name[2-(3-nitrophenyl)-2-oxoethyl] 4-(4-acetylanilino)-4-oxobutanoate
Molecular weight398.371
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP1.8
Synonyms4-(4-acetylanilino)-4-keto-butyric acid [2-keto-2-(3-nitrophenyl)ethyl] ester
CHEMBL1419495
SR-01000494100-1
AC1LWEPT
MCULE-7447393282
[ Show all ]
Inchi KeyANHINKLKQXLBEG-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H18N2O7/c1-13(23)14-5-7-16(8-6-14)21-19(25)9-10-20(26)29-12-18(24)15-3-2-4-17(11-15)22(27)28/h2-8,11H,9-10,12H2,1H3,(H,21,25)
PubChem CID1726742
ChEMBLCHEMBL1419495
IUPHARN/A
BindingDB67360
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
9568Apelin receptorP35414APLNRHomo sapiens (Human)380
9567Type-1 angiotensin II receptorP30556AGTR1Homo sapiens (Human)359

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