2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-3-phenylpropanoic acid
AlkaPlorer ID: AK198668
Synonym: None
IUPAC Name: (2S)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanoic acid
Structure
SMILES: O=C(O)[C@H](CC1=CC=CC=C1)N1CC2=CC=CC=C2C1=O
InChI: InChI=1S/C17H15NO3/c19-16-14-9-5-4-8-13(14)11-18(16)15(17(20)21)10-12-6-2-1-3-7-12/h1-9,15H,10-11H2,(H,20,21)/t15-/m0/s1
InChIKey: FZEBPJBRDFXKIH-HNNXBMFYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Hericium erinaceus | Hericium | Hericiaceae | Russulales | Agaricomycetes | Basidiomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 281.31100000000004
TPSA？: 57.61
MolLogP？: 2.3383000000000003
Number of H-Donors: 1
Number of H-Acceptors: 2
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bacillus subtilis | Bacillus subtilis | MIC | 1175.0 | ug.mL-1 | 10.1016/s0960-894x(00)00306-1 |
| Bacteria | Bacteria | Activity | nan | None | 10.1016/s0960-894x(00)00306-1 |
| Escherichia coli | Escherichia coli | MIC | 3600.0 | ug.mL-1 | 10.1016/s0960-894x(00)00306-1 |
| Escherichia coli K-12 | Beta-lactamase AmpC | Potency | 1995.3 | nM | None |
| Homo sapiens | A549 | IC50 | 100000.0 | nM | 10.1021/np5004388 |
| Homo sapiens | Arachidonate 15-lipoxygenase | Potency | 39810.7 | nM | None |
| Homo sapiens | Bromodomain adjacent to zinc finger domain protein 2B | Potency | 89125.1 | nM | None |
| Homo sapiens | HeLa | IC50 | 100000.0 | nM | 10.1021/np5004388 |
| Homo sapiens | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 | Potency | 79432.8 | nM | None |
| Homo sapiens | Inhibitor of apoptosis protein 3 | IC50 | 131090.0 | nM | None |
| Homo sapiens | Inhibitor of apoptosis protein 3 | IC50 | 200000.0 | nM | None |
| Kocuria rosea | Kocuria rosea | MIC | 2610.0 | ug.mL-1 | 10.1016/s0960-894x(00)00306-1 |
| Plasmodium falciparum 3D7 | M17 leucyl aminopeptidase | IC50 | 6470.0 | nM | None |
| Pseudomonas aeruginosa | Pseudomonas aeruginosa | MIC | 3600.0 | ug.mL-1 | 10.1016/s0960-894x(00)00306-1 |
| Staphylococcus aureus | Staphylococcus aureus | Inhibition | 0.0 | % | 10.1016/s0960-894x(00)00306-1 |
| Trypanosoma cruzi Dm28c | Aminopeptidase | Inhibition | -59.78 | % | 10.6019/CHEMBL5305021 |
| None | NON-PROTEIN TARGET | Activity | nan | None | 10.1016/s0960-894x(00)00306-1 |
| None | Unchecked | IC50 | 200000.0 | nM | 10.1021/np5004388 |
| None | Unchecked | Potency | 2310.9 | nM | None |