Spf-32629A
AlkaPlorer ID: AK336562
Synonym: None
IUPAC Name: [(4-hydroxy-6-oxo-1H-pyridin-2-yl)-phenylmethyl] 3-methylbutanoate
Structure
SMILES: CC(C)CC(=O)OC(C1=CC=CC=C1)C1=CC(O)=CC(O)=N1
InChI: InChI=1S/C17H19NO4/c1-11(2)8-16(21)22-17(12-6-4-3-5-7-12)14-9-13(19)10-15(20)18-14/h3-7,9-11,17H,8H2,1-2H3,(H2,18,19,20)
InChIKey: ATDHCZKCFPIQOT-UHFFFAOYSA-N
Reference
SPF-32629 A and B, Novel Human Chymase Inhibitors Produced by Penicillium sp.
PubChem CID: 54687215
LOTUS: LTS0131802
COCONUT: CNP0320988.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | None | Trichocomaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 301.34200000000004
TPSA？: 79.65
MolLogP？: 3.171500000000002
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bacillus subtilis | Bacillus subtilis | DIZ | nan | None | 10.1016/j.ejmech.2011.02.039 |
| Escherichia coli | Escherichia coli | DIZ | nan | None | 10.1016/j.ejmech.2011.02.039 |
| Homo sapiens | A549 | Activity | 8.22 | % | 10.1016/j.ejmech.2011.02.039 |
| Homo sapiens | A549 | Activity | 25.54 | % | 10.1016/j.ejmech.2011.02.039 |
| Homo sapiens | A549 | Activity | 37.22 | % | 10.1016/j.ejmech.2011.02.039 |
| Homo sapiens | A549 | Activity | 50.21 | % | 10.1016/j.ejmech.2011.02.039 |
| Homo sapiens | A549 | Activity | 74.02 | % | 10.1016/j.ejmech.2011.02.039 |
| Homo sapiens | A549 | IC50 | 28000.0 | nM | 10.1016/j.ejmech.2011.02.039 |
| Homo sapiens | Chymase | IC50 | 0.25 | ug.mL-1 | 10.1016/j.ejmech.2011.02.039 |
| Klebsiella pneumoniae | Klebsiella pneumoniae | DIZ | nan | None | 10.1016/j.ejmech.2011.02.039 |
| Listeria monocytogenes | Listeria monocytogenes | DIZ | nan | None | 10.1016/j.ejmech.2011.02.039 |
| Salmonella enterica subsp. enterica serovar Typhimurium | Salmonella typhimurium | IZ | 7.0 | mm | 10.1016/j.ejmech.2011.02.039 |
| Salmonella enterica subsp. enterica serovar Typhimurium | Salmonella typhimurium | IZ | 13.0 | mm | 10.1016/j.ejmech.2011.02.039 |
| Staphylococcus aureus | Staphylococcus aureus | DIZ | nan | None | 10.1016/j.ejmech.2011.02.039 |
| Staphylococcus epidermidis | Staphylococcus epidermidis | DIZ | nan | None | 10.1016/j.ejmech.2011.02.039 |
| Staphylococcus epidermidis | Staphylococcus epidermidis | IZ | 9.0 | mm | 10.1016/j.ejmech.2011.02.039 |
| None | Unchecked | IC50 | 4.9 | ug.mL-1 | 10.1016/j.ejmech.2011.02.039 |