Pygmeine
AlkaPlorer ID: AK036398
Synonym: None
IUPAC Name: (2S)-2-amino-5-[2-(2-hydroxyphenyl)hydrazinyl]-5-oxopentanoic acid
Structure
SMILES: N[C@@H](CCC(=O)NNC1=CC=CC=C1O)C(=O)O
InChI: InChI=1S/C11H15N3O4/c12-7(11(17)18)5-6-10(16)14-13-8-3-1-2-4-9(8)15/h1-4,7,13,15H,5-6,12H2,(H,14,16)(H,17,18)/t7-/m0/s1
InChIKey: CRSVHQICRXRCEP-ZETCQYMHSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Lichina pygmaea | Lichina | Lichinaceae | Lichinales | Lichinomycetes | Ascomycota | Fungi | Eukaryota |
| None | Lichina | Lichinaceae | Lichinales | Lichinomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 253.258
TPSA？: 124.68000000000002
MolLogP？: 0.027399999999999
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 | 11.0 | % | 10.1016/j.bmcl.2010.06.013 |
| Homo sapiens | A-375 | Inhibition | 19.0 | % | 10.1016/j.bmcl.2010.06.013 |
| Mus musculus | B16 | IC50 | 14000.0 | nM | 10.1016/j.bmcl.2010.06.013 |
| Mus musculus | B16 | IC50 | 20000.0 | nM | 10.1016/j.bmcl.2010.06.013 |
| Mus musculus | B16 | Inhibition | 100.0 | % | 10.1016/j.bmcl.2010.06.013 |
| Mus musculus | RAW264.7 | Activity | nan | None | 10.1016/j.bmcl.2017.11.012 |
| None | No relevant target | IC50 | 8.67 | ug.mL-1 | 10.1016/j.bmcl.2017.11.012 |
| None | No relevant target | Ratio IC50 | 2.0 | None | 10.1016/j.bmcl.2017.11.012 |
| None | No relevant target | Stability | 45.71 | % | 10.1016/j.bmcl.2017.11.012 |