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Ligand

NameSMR000076915
Molecular formulaC20H28N2O5
IUPAC name2-[2-(cyclohexen-1-yl)ethylamino]-4-(2,5-dimethoxyanilino)-4-oxobutanoic acid
Molecular weight376.453
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP0.5
SynonymsAC1MG7C8
MLS000049872
CHEMBL1428273
MolPort-000-466-687
HMS2427B20
[ Show all ]
Inchi KeyAFTBUXCWKWDELU-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H28N2O5/c1-26-15-8-9-18(27-2)16(12-15)22-19(23)13-17(20(24)25)21-11-10-14-6-4-3-5-7-14/h6,8-9,12,17,21H,3-5,7,10-11,13H2,1-2H3,(H,22,23)(H,24,25)
PubChem CID2956645
ChEMBLCHEMBL1428273
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
4449Thyrotropin receptorP16473TSHRHomo sapiens (Human)764

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