4-((5-Bromopyridin-2-yl)amino)-4-oxobutanoic acid
| Internal ID | d0ad3a71-824d-4547-9071-3d8c6a6f0c28 |
| Taxonomy | Organic nitrogen compounds > Organonitrogen compounds > N-arylamides |
| IUPAC Name | 4-[(5-bromopyridin-2-yl)amino]-4-oxobutanoic acid |
| SMILES (Canonical) | C1=CC(=NC=C1Br)NC(=O)CCC(=O)O |
| SMILES (Isomeric) | C1=CC(=NC=C1Br)NC(=O)CCC(=O)O |
| InChI | InChI=1S/C9H9BrN2O3/c10-6-1-2-7(11-5-6)12-8(13)3-4-9(14)15/h1-2,5H,3-4H2,(H,14,15)(H,11,12,13) |
| InChI Key | XFYYQDHEDOXWGA-UHFFFAOYSA-N |
| Popularity | 23 references in papers |
| Molecular Formula | C9H9BrN2O3 |
| Molecular Weight | 273.08 g/mol |
| Exact Mass | 271.97965 g/mol |
| Topological Polar Surface Area (TPSA) | 79.30 Ų |
| XlogP | 0.50 |
| 188011-69-0 |
| 4-((5-Bromopyridin-2-yl)amino)-4-oxobutanoic acid |
| 4-[(5-bromopyridin-2-yl)amino]-4-oxobutanoic acid |
| Abrasin |
| n-(5-bromopyridin-2-yl)succinamic acid |
| N-(5-Bromo-pyridin-2-yl)-succinamic acid |
| 4-(5-bromopyridin-2-ylamino)-4-oxobutanoic acid |
| MLS000035661 |
| Bikinin; Abrasin |
| SX2 |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 97.07% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.51% | 96.09% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 89.35% | 81.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.71% | 99.17% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 87.03% | 97.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.43% | 91.11% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.88% | 99.23% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 83.88% | 90.17% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 81.03% | 94.62% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.61% | 95.56% |
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.
| Abrus precatorius |
| Ficus carica |
| PubChem | 647833 |
| LOTUS | LTS0049666 |
| wikiData | Q82949866 |