2-benzyl-3-mercaptopropanoic acid: structure; carboxypeptidase inhibitor [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]
| ID Source | ID |
|---|---|
| PubMed CID | 194327 |
| CHEMBL ID | 58957 |
| SCHEMBL ID | 1559014 |
| MeSH ID | M0361220 |
| Synonym |
|---|
| 69734-01-6 |
| CHEMBL58957 , |
| sq-14603 |
| 2-benzyl-3-sulfanylpropanoic acid |
| 2-benzyl-3-mercapto-propionic acid |
| 2-mercaptomethyl-3-phenyl-propionic acid |
| bdbm50109593 |
| sq-14,603 |
| benzenepropanoic acid, alpha-(mercaptomethyl)-, (+-)- |
| sq14,603 |
| 2-benzyl-3-mercaptopropanoic acid |
| sq 14,603 |
| SCHEMBL1559014 |
| 2-mercaptomethyl-3-phenylpropionic acid |
| ZUEBVBPVXLQMQR-UHFFFAOYSA-N |
| 81110-55-6 |
| DTXSID80989900 |
| Excerpt | Reference | Relevance |
|---|---|---|
| " The most potent thiol-based inhibitor, 2-(3-mercaptopropyl)pentanedioic acid (IC(50) = 90 nM), was found to be orally bioavailable in rats and exhibited efficacy in an animal model of neuropathic pain following oral administration." | ( Synthesis and biological evaluation of thiol-based inhibitors of glutamate carboxypeptidase II: discovery of an orally active GCP II inhibitor. Burak, E; Delahanty, G; Grella, BS; Jackson, PF; Ko, YS; Li, W; Limsakun, T; Liu, Q; Maclin, KM; Majer, P; Poláková, J; Rojas, C; Shaffer, KA; Slusher, BS; Stoermer, D; Tsukamoto, T; Vitharana, D; Wang, EY; Wozniak, KM; Zakrzewski, A, 2003) | 0.32 |
| Protein | Taxonomy | Measurement | Average | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
|---|---|---|---|---|---|---|---|
| Carboxypeptidase A1 | Bos taurus (cattle) | Ki | 0.0105 | 0.0100 | 0.1737 | 0.5000 | AID304047; AID48474 |
| Carboxypeptidase A1 | Homo sapiens (human) | Ki | 0.0100 | 0.0100 | 0.0100 | 0.0100 | AID48474 |
| Glutamate carboxypeptidase 2 | Homo sapiens (human) | Ki | 0.0110 | 0.0002 | 0.0046 | 0.0312 | AID74532 |
| [prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] | |||||||
| Process | via Protein(s) | Taxonomy |
|---|---|---|
| leukotriene metabolic process | Carboxypeptidase A1 | Bos taurus (cattle) |
| leukotriene metabolic process | Carboxypeptidase A1 | Homo sapiens (human) |
| response to cadmium ion | Carboxypeptidase A1 | Homo sapiens (human) |
| proteolysis involved in protein catabolic process | Carboxypeptidase A1 | Homo sapiens (human) |
| proteolysis | Carboxypeptidase A1 | Homo sapiens (human) |
| proteolysis | Glutamate carboxypeptidase 2 | Homo sapiens (human) |
| folic acid-containing compound metabolic process | Glutamate carboxypeptidase 2 | Homo sapiens (human) |
| C-terminal protein deglutamylation | Glutamate carboxypeptidase 2 | Homo sapiens (human) |
| [Information is prepared from geneontology information from the June-17-2024 release] | ||
| Process | via Protein(s) | Taxonomy |
|---|---|---|
| metallocarboxypeptidase activity | Carboxypeptidase A1 | Bos taurus (cattle) |
| zinc ion binding | Carboxypeptidase A1 | Bos taurus (cattle) |
| metallocarboxypeptidase activity | Carboxypeptidase A1 | Homo sapiens (human) |
| protein binding | Carboxypeptidase A1 | Homo sapiens (human) |
| zinc ion binding | Carboxypeptidase A1 | Homo sapiens (human) |
| metallocarboxypeptidase activity | Glutamate carboxypeptidase 2 | Homo sapiens (human) |
| peptidase activity | Glutamate carboxypeptidase 2 | Homo sapiens (human) |
| dipeptidase activity | Glutamate carboxypeptidase 2 | Homo sapiens (human) |
| metal ion binding | Glutamate carboxypeptidase 2 | Homo sapiens (human) |
| Ac-Asp-Glu binding | Glutamate carboxypeptidase 2 | Homo sapiens (human) |
| tetrahydrofolyl-poly(glutamate) polymer binding | Glutamate carboxypeptidase 2 | Homo sapiens (human) |
| carboxypeptidase activity | Glutamate carboxypeptidase 2 | Homo sapiens (human) |
| [Information is prepared from geneontology information from the June-17-2024 release] | ||
| Process | via Protein(s) | Taxonomy |
|---|---|---|
| extracellular space | Carboxypeptidase A1 | Homo sapiens (human) |
| extracellular space | Carboxypeptidase A1 | Homo sapiens (human) |
| cytoplasm | Glutamate carboxypeptidase 2 | Homo sapiens (human) |
| plasma membrane | Glutamate carboxypeptidase 2 | Homo sapiens (human) |
| cell surface | Glutamate carboxypeptidase 2 | Homo sapiens (human) |
| membrane | Glutamate carboxypeptidase 2 | Homo sapiens (human) |
| extracellular exosome | Glutamate carboxypeptidase 2 | Homo sapiens (human) |
| plasma membrane | Glutamate carboxypeptidase 2 | Homo sapiens (human) |
| [Information is prepared from geneontology information from the June-17-2024 release] | ||
| Assay ID | Title | Year | Journal | Article |
|---|---|---|---|---|
| AID304048 | Selectivity for bovine pancreatic carboxypeptidase A over porcine pancreatic carboxypeptidase B | 2007 | Journal of medicinal chemistry, Nov-29, Volume: 50, Issue:24 | Discovery of potent & selective inhibitors of activated thrombin-activatable fibrinolysis inhibitor for the treatment of thrombosis. |
| AID304047 | Inhibition of bovine pancreatic carboxypeptidase A | 2007 | Journal of medicinal chemistry, Nov-29, Volume: 50, Issue:24 | Discovery of potent & selective inhibitors of activated thrombin-activatable fibrinolysis inhibitor for the treatment of thrombosis. |
| AID48474 | Inhibition of bovine carboxypeptidase A (CPA) using hippuryl-L-phenylalanine (Hipp-L-Phe) as a substrate. | 2002 | Journal of medicinal chemistry, Feb-14, Volume: 45, Issue:4 | Cysteine derivatives as inhibitors for carboxypeptidase A: synthesis and structure-activity relationships. |
| AID74532 | In vitro inhibitory activity against glutamate carboxypeptidase II (GCP II) using N-acetyl-L-aspartyl-[3H]L-glutamate as a substrate | 2003 | Journal of medicinal chemistry, May-08, Volume: 46, Issue:10 | Synthesis and biological evaluation of thiol-based inhibitors of glutamate carboxypeptidase II: discovery of an orally active GCP II inhibitor. |
| [information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||||
| Timeframe | Studies, This Drug (%) | All Drugs % |
|---|---|---|
| pre-1990 | 2 (33.33) | 18.7374 |
| 1990's | 1 (16.67) | 18.2507 |
| 2000's | 3 (50.00) | 29.6817 |
| 2010's | 0 (0.00) | 24.3611 |
| 2020's | 0 (0.00) | 2.80 |
| [information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||
According to the monthly volume, diversity, and competition of internet searches for this compound, as well the volume and growth of publications, there is estimated to be weak demand-to-supply ratio for research on this compound.
| This Compound (12.67) All Compounds (24.57) |
| Publication Type | This drug (%) | All Drugs (%) |
|---|---|---|
| Trials | 0 (0.00%) | 5.53% |
| Reviews | 0 (0.00%) | 6.00% |
| Case Studies | 0 (0.00%) | 4.05% |
| Observational | 0 (0.00%) | 0.25% |
| Other | 6 (100.00%) | 84.16% |
| [information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||