Detailed information for compound 9552
Basic information
Technical information
Network
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Synonyms
- D-Alanine
- 2-aminopropanoic acid
- 2-azanylpropanoic acid
- 2-aminopropionic acid
- Alanine
- chlorambucil-docosahexaenoic acid conjugate
- polyalanine
- 338-69-2
- 56-41-7
- 6898-94-8
- 302-72-7
- ()-2-Aminopropionic acid
- 05150_FLUKA
- ARONIS005074
- LS-2384
- (.+/-.)-Alanine
- (+-)-2-Aminopropionic acid
- (+-)-Alanine
- (R,S)-Alanine
- (RS)-2-Aminopropionsaeure
- AI3-08908
- DL-2-Aminopropionic acid
- DL-alpha-Alanine
- DL-alpha-Aminopropionic acid
- EINECS 206-126-4
- NSC 7602
- Alanin
- C01401
- D(-)-.alpha.-Alanine
- LS-15737
- A7502_SIGMA
- D-.alpha.-Alanine
- NSC158286
- CHEBI:16449
- W381810_ALDRICH
- (S)-Alanine
- .alpha.-Alanine
- .alpha.-Aminopropionic acid
- Alanine, L-
- L(+)-Alanine
- L-.alpha.-Alanine
- L-.alpha.-Aminopropionic acid
- L-2-Aminopropanoic acid
- NSC206315
- Propanoic acid, 2-amino-
- Propanoic acid, 2-amino-, (S)-
- ST5213965
- P9003_SIGMA
- L-alpha-alanine
- Alanine, DL-
- D,L-Alanine
- D-(-)-Alanine
- DL-Alanine
- NSC7602
- dl-2-Aminopropanoic acid
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Mycobacterium tuberculosis | Probable glutamine synthetase GlnA3 (glutamine synthase) (GS-I) | Curated by TDR Targets | References |
| Mycobacterium tuberculosis | Probable glutamine synthetase GlnA2 (glutamine synthase) (GS-II) | Curated by TDR Targets | References |
| Mycobacterium leprae | PROBABLE GLUTAMINE SYNTHETASE GLNA2 (GLUTAMINE SYNTHASE) (GS-II) | Curated by TDR Targets | References |
Predicted pathogen targets for this compound
By orthology
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Activity (functional) | = 13 % | Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-induced NO production at 6 uM by Griess method | ChEMBL. | 23324083 |
| Drug uptake (ADMET) | = 32 % | Drug accumulation in Saccharomyces cerevisiae AD12345678 reenergized with glucose at pH 6.0 assessed as intracellular accumulation after 60 mins by fluorescamine staining | ChEMBL. | 18794383 |
| Drug uptake (ADMET) | = 32 % | Drug accumulation in Saccharomyces cerevisiae ADCDR1 expressing Candida albicans CDR1 efflux pump reenergized with glucose at pH 6.0 assessed as intracellular accumulation after 60 mins by fluorescamine staining | ChEMBL. | 18794383 |
| Drug uptake (ADMET) | = 32 % | Drug accumulation in Saccharomyces cerevisiae ADCDR2 expressing Candida albicans CDR2 efflux pump reenergized with glucose at pH 6.0 after 60 mins by fluorescamine staining | ChEMBL. | 18794383 |
| Drug uptake (ADMET) | = 3.33 nmol/min | Drug uptake in Saccharomyces cerevisiae ADMDR1 expressing Candida albicans MDR1 efflux pump at 200 uM pretreated for 10 mins measured after 60 mins by fluorescamine staining | ChEMBL. | 18794383 |
| Drug uptake (ADMET) | = 3.51 nmol/min | Drug uptake in Saccharomyces cerevisiae AD12345678 at 200 uM pretreated for 10 mins measured after 60 mins by fluorescamine staining | ChEMBL. | 18794383 |
| Drug uptake (ADMET) | = 4.16 nmol/min | Drug uptake in Saccharomyces cerevisiae ADCDR1 expressing Candida albicans CDR1 efflux pump at 200 uM pretreated for 10 mins measured after 60 mins by fluorescamine staining | ChEMBL. | 18794383 |
| Drug uptake (ADMET) | = 4.35 nmol/min | Drug uptake in Saccharomyces cerevisiae ADCDR2 expressing Candida albicans CDR2 efflux pump at 200 uM pretreated for 10 mins measured after 60 mins by fluorescamine staining | ChEMBL. | 18794383 |
| Km (binding) | = 14.2 mM | Km value of the compound was determined for Alanine racemase from Pseudomonas aeruginosa | ChEMBL. | 3079831 |
| krel (binding) | = 1.04 | Effect on rate of GTP hydrolysis in the GTP binding protein ras p21 | ChEMBL. | 9871712 |
| Log S | = 0.25 | Aqueous solubility | ChEMBL. | 10866370 |
| MIC (functional) | = 4.5 uM | Antibacterial activity against Escherichia coli ATCC 10536 after 18 hrs by broth dilution method | ChEMBL. | 23324083 |
| MIC (functional) | > 25 uM | Antifungal activity against Cryptococcus neoformans after 72 hrs by NCCLS microbroth dilution method | ChEMBL. | 23324083 |
| MIC (functional) | > 25 uM | Antifungal activity against Candida albicans after 48 hrs by NCCLS microbroth dilution method | ChEMBL. | 23324083 |
Phenotypes
Whole-cell/tissue/organism interactions
We have no records of whole-cell/tissue assays done with this compound
What does this mean?
Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.
Annotated phenotypes:
In TDR Targets, information about phenotypes that are caused by
drugs, or by genetic manipulation of cells (e.g. gene knockouts or
knockdowns) is manually curated from the literature. These
descriptions help to describe the potential of the target for drug
development. If no information is available for this gene or if the
information is incomplete, this may mean that i) the papers
containing this information either appeared after the curation
effort for this organism was carried out or they were inadvertently
missed by curators; or that ii) the curation effort for this
organism has not yet started.
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.
External resources for this compound
- Search by CAS
- ChEMBL: CHEMBL12198
- DrugBank: DB01786
- PubChem: 602
Bibliographic References
206 literature references were collected for this gene.
If you have references for this compound, please enter them in a user comment (below) or Contact us.