2-amino-4-[(Z)-(3-hydroxyphenyl)-C-hydroxycarbonohydrazonoyl]butanoic acid
AlkaPlorer ID: AK134488
Synonym: None
IUPAC Name: (2S)-2-amino-5-[2-(3-hydroxyphenyl)hydrazinyl]-5-oxopentanoic acid
Structure
SMILES: N[C@@H](CCC(O)=NNC1=CC=CC(O)=C1)C(=O)O
InChI: InChI=1S/C11H15N3O4/c12-9(11(17)18)4-5-10(16)14-13-7-2-1-3-8(15)6-7/h1-3,6,9,13,15H,4-5,12H2,(H,14,16)(H,17,18)/t9-/m0/s1
InChIKey: QWOYPEOOXLREKN-VIFPVBQESA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Lichina pygmaea | Lichina | Lichinaceae | Lichinales | Lichinomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 253.258
TPSA？: 128.17
MolLogP？: 0.8676999999999999
Number of H-Donors: 5
Number of H-Acceptors: 5
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A-375 | IC50 | 50000.0 | nM | 10.1016/j.bmcl.2010.06.013 |
| Homo sapiens | A-375 | Inhibition | 8.0 | % | 10.1016/j.bmcl.2010.06.013 |
| Homo sapiens | A-375 | Inhibition | 14.0 | % | 10.1016/j.bmcl.2010.06.013 |
| Mus musculus | B16 | IC50 | 12000.0 | nM | 10.1016/j.bmcl.2010.06.013 |
| Mus musculus | B16 | Inhibition | 100.0 | % | 10.1016/j.bmcl.2010.06.013 |
| None | No relevant target | IC50 | 10.67 | ug.mL-1 | 10.1016/j.bmcl.2017.11.012 |