(2S,4R)-2-(1H-indol-3-yl)-1,3-thiazolidine-4-carboxylic acid
| Internal ID | 3f30f860-6691-4f31-a3a2-35a3a5511903 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives |
| IUPAC Name | (2S,4R)-2-(1H-indol-3-yl)-1,3-thiazolidine-4-carboxylic acid |
| SMILES (Canonical) | C1C(NC(S1)C2=CNC3=CC=CC=C32)C(=O)O |
| SMILES (Isomeric) | C1[C@H](N[C@@H](S1)C2=CNC3=CC=CC=C32)C(=O)O |
| InChI | InChI=1S/C12H12N2O2S/c15-12(16)10-6-17-11(14-10)8-5-13-9-4-2-1-3-7(8)9/h1-5,10-11,13-14H,6H2,(H,15,16)/t10-,11-/m0/s1 |
| InChI Key | WUEBKLMRCKZPFG-QWRGUYRKSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C12H12N2O2S |
| Molecular Weight | 248.30 g/mol |
| Exact Mass | 248.06194880 g/mol |
| Topological Polar Surface Area (TPSA) | 90.40 Ų |
| XlogP | -0.70 |
| There are no found synonyms. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.57% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.30% | 96.09% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 92.53% | 94.62% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 91.89% | 94.08% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.32% | 95.56% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 90.41% | 83.82% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.08% | 99.23% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.42% | 98.95% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 87.03% | 94.23% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 86.57% | 95.56% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 85.98% | 89.44% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.53% | 94.45% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 85.23% | 98.59% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.47% | 89.00% |
| CHEMBL2093869 | P05106 | Integrin alpha-IIb/beta-3 | 82.14% | 95.42% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 81.44% | 92.67% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 81.39% | 88.56% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 80.90% | 90.17% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.79% | 93.03% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 80.00% | 96.39% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Arabidopsis thaliana |
| PubChem | 94840642 |
| LOTUS | LTS0274378 |
| wikiData | Q105312997 |