Alanine; (±)-form
AlkaPlorer ID: AK283687
Synonym: None
IUPAC Name: 2-aminopropanoic acid
Structure
SMILES: CC(N)C(=O)O
InChI: InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)
InChIKey: QNAYBMKLOCPYGJ-UHFFFAOYSA-N
Reference
Zur Kenntnis der Inhaltsstoffe von<i>Viscum album,</i>I. Freie Aminosäuren
PubChem CID: 57383916
CAS: 56-41-7
LOTUS: LTS0117512
NPASS: NPC21290
COCONUT: CNP0313085.2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 89.09399999999998
TPSA？: 63.32000000000001
MolLogP？: -0.5817999999999999
Number of H-Donors: 2
Number of H-Acceptors: 2
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Aspergillus fumigatus | Aspergillus fumigatus | MIC | 25000.0 | nM | 10.1021/jm301407k |
| Bacillus subtilis | Bacillus subtilis | MIC | 20000.0 | nM | 10.1021/jm301407k |
| Bacteria | Lipopolysaccharide (LPS) | Activity | nan | None | 10.1021/jm301407k |
| Bacteria | Lipopolysaccharide (LPS) | Inhibition | 3.0 | % | 10.1021/jm301407k |
| Bacteria | Lipopolysaccharide (LPS) | Inhibition | 7.0 | % | 10.1021/jm301407k |
| Bacteria | Lipopolysaccharide (LPS) | Inhibition | 10.0 | % | 10.1021/jm301407k |
| Candida albicans | Candida albicans | MIC | 25000.0 | nM | 10.1021/jm301407k |
| Candida parapsilosis | Candida parapsilosis | MIC | 25000.0 | nM | 10.1021/jm301407k |
| Cryptococcus neoformans | Cryptococcus neoformans | MIC | 25000.0 | nM | 10.1021/jm301407k |
| Escherichia coli | Escherichia coli | Activity | nan | None | 10.1021/jm301407k |
| Escherichia coli | Escherichia coli | MIC | 4500.0 | nM | 10.1021/jm301407k |
| Homo sapiens | Caco-2 | logPapp | 5.42 | None | 10.1016/j.bmc.2009.08.022 |
| Klebsiella pneumoniae | Klebsiella pneumoniae | MIC | 25000.0 | nM | 10.1021/jm301407k |
| Mus musculus | NIH3T3 | Activity | nan | None | 10.1021/jm301407k |
| Mus musculus | RAW264.7 | Activity | 13.0 | % | 10.1021/jm301407k |
| Mus musculus | RAW264.7 | Activity | nan | None | 10.1021/jm301407k |
| Mus musculus | RAW264.7 | Inhibition | nan | % | 10.1021/jm301407k |
| Pseudomonas aeruginosa | Pseudomonas aeruginosa | MIC | 6250.0 | nM | 10.1021/jm301407k |
| Saccharomyces cerevisiae | Saccharomyces cerevisiae | Drug uptake | 3.33 | nmol/min | 10.1128/aac.01648-07 |
| Saccharomyces cerevisiae | Saccharomyces cerevisiae | Drug uptake | 3.51 | nmol/min | 10.1128/aac.01648-07 |
| Saccharomyces cerevisiae | Saccharomyces cerevisiae | Drug uptake | 4.16 | nmol/min | 10.1128/aac.01648-07 |
| Saccharomyces cerevisiae | Saccharomyces cerevisiae | Drug uptake | 4.35 | nmol/min | 10.1128/aac.01648-07 |
| Saccharomyces cerevisiae | Saccharomyces cerevisiae | Drug uptake | 32.0 | % | 10.1128/aac.01648-07 |
| Sporothrix schenckii | Sporothrix schenckii | MIC | 25000.0 | nM | 10.1021/jm301407k |
| Staphylococcus aureus | Staphylococcus aureus | Activity | nan | None | 10.1021/jm301407k |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 6250.0 | nM | 10.1021/jm301407k |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 25000.0 | nM | 10.1021/jm301407k |
| Staphylococcus epidermidis | Staphylococcus epidermidis | MIC | 8000.0 | nM | 10.1021/jm301407k |
| Trichophyton mentagrophytes | Trichophyton mentagrophytes | MIC | 25000.0 | nM | 10.1021/jm301407k |
| None | ADMET | Activity | 1.0 | % | 10.1021/jm301407k |
| None | ADMET | Activity | nan | None | 10.1021/jm301407k |
| None | No relevant target | Activity | nan | None | 10.1021/jm301407k |
| None | No relevant target | LogP | 2.89 | None | 10.1021/jm00393a031 |
| None | No relevant target | Log S | 0.25 | None | 10.1016/s0960-894x(00)00172-4 |
| None | Unchecked | EC50 | 800000.0 | nM | 10.1016/s0960-894x(03)00280-4 |
| None | Unchecked | krel | 1.04 | None | 10.1016/s0960-894x(98)00164-4 |
| None | Unchecked | Log 1/T | nan | None | 10.1021/jm00393a031 |