Mdl-28170

2D Structure
3D Structure
Source:
General
Identifier MM17317
SMILES CC(C)C(N)C(=O)NC(Cc1ccccc1)C(=O)O
InChIKey GJNDXQBALKCYSZ-UHFFFAOYSA-N
MW [Da] 264.33

Automatically obtained from RDkit software.

LogP 0.78

Automatically obtained from RDkit software.

Links

PubChem

N/A

DrugBank

N/A

ChEBI

N/A

PDB

N/A

ChEMBL

N/A

No data

Methods

Computed
QSAR

No data

Hide empty columns:
Target
Uniprot ID
Type
pKm
pEC50
pKi
pIC50
Primary
reference
Secondary
reference
Note
SLC15A2
Inhibitor
5.42

Pedretti A, De Luca L, Marconi C, Regazzoni L, Aldini G, Vistoli G.: Fragmental modeling of hPepT2 and analysis of its binding features by docking studies and pharmacophore mapping. Bioorg Med Chem, Volume 19 (15), 2011

Pedretti A, De Luca L, Marconi C, Regazzoni L, Aldini G, Vistoli G.: Fragmental modeling of hPepT2 and analysis of its binding features by docking studies and pharmacophore mapping. Bioorg Med Chem, Volume 19 (15), 2011

Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR.: The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res, Volume 52 (d1), D1180-D1192, 2024

Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR.: The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res, Volume 52 (d1), D1180-D1192, 2024