NCT-501: inhibits aldehyde dehydrogenase 1A1; structure in first source [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]
| ID Source | ID |
|---|---|
| PubMed CID | 92044412 |
| CHEMBL ID | 4215649 |
| SCHEMBL ID | 17786253 |
| MeSH ID | M000612483 |
| Synonym |
|---|
| S7941 |
| chembl4215649 , |
| bdbm50456226 |
| CS-5116 |
| HY-18768 |
| nct-501 |
| AC-32910 |
| SCHEMBL17786253 |
| 1802088-50-1 |
| AKOS030526107 |
| 8-[(4-cyclopropanecarbonylpiperazin-1-yl)methyl]-1,3-dimethyl-7-(3-methylbutyl)-2,3,6,7-tetrahydro-1h-purine-2,6-dione |
| nct-501, >=98% (hplc) |
| A857067 |
| BCP23989 |
| nct501; nct 501 |
| 8-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione |
| EX-A2401 |
| mfcd29472261 |
| nct 501 |
| nct501 |
| SB19212 |
| CCG-268848 |
| AS-55932 |
| 8-[[4-(cyclopropylcarbonyl)-1-piperazinyl]methyl]-3,7-dihydro-1,3-dimethyl-7-(3-methylbutyl)-1h-purine-2,6-dione; |
| Protein | Taxonomy | Measurement | Average | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
|---|---|---|---|---|---|---|---|
| Retinal dehydrogenase 1 | Homo sapiens (human) | IC50 (µMol) | 3.4155 | 0.0200 | 1.0476 | 6.7900 | AID1375824; AID1375825 |
| [prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] | |||||||
| Protein | Taxonomy | Measurement | Average | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
|---|---|---|---|---|---|---|---|
| Retinal dehydrogenase 1 | Homo sapiens (human) | EC50 (µMol) | 7.7900 | 7.7900 | 7.7900 | 7.7900 | AID1375835 |
| [prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] | |||||||
| Process | via Protein(s) | Taxonomy |
|---|---|---|
| retinoid metabolic process | Retinal dehydrogenase 1 | Homo sapiens (human) |
| cellular aldehyde metabolic process | Retinal dehydrogenase 1 | Homo sapiens (human) |
| gamma-aminobutyric acid biosynthetic process | Retinal dehydrogenase 1 | Homo sapiens (human) |
| fructosamine catabolic process | Retinal dehydrogenase 1 | Homo sapiens (human) |
| maintenance of lens transparency | Retinal dehydrogenase 1 | Homo sapiens (human) |
| retinol metabolic process | Retinal dehydrogenase 1 | Homo sapiens (human) |
| cellular detoxification of aldehyde | Retinal dehydrogenase 1 | Homo sapiens (human) |
| negative regulation of cold-induced thermogenesis | Retinal dehydrogenase 1 | Homo sapiens (human) |
| [Information is prepared from geneontology information from the June-17-2024 release] | ||
| Process | via Protein(s) | Taxonomy |
|---|---|---|
| retinal dehydrogenase activity | Retinal dehydrogenase 1 | Homo sapiens (human) |
| aldehyde dehydrogenase (NAD+) activity | Retinal dehydrogenase 1 | Homo sapiens (human) |
| GTPase activator activity | Retinal dehydrogenase 1 | Homo sapiens (human) |
| androgen binding | Retinal dehydrogenase 1 | Homo sapiens (human) |
| protein binding | Retinal dehydrogenase 1 | Homo sapiens (human) |
| aminobutyraldehyde dehydrogenase activity | Retinal dehydrogenase 1 | Homo sapiens (human) |
| glyceraldehyde-3-phosphate dehydrogenase (NAD+) (non-phosphorylating) activity | Retinal dehydrogenase 1 | Homo sapiens (human) |
| NAD binding | Retinal dehydrogenase 1 | Homo sapiens (human) |
| 3-deoxyglucosone dehydrogenase activity | Retinal dehydrogenase 1 | Homo sapiens (human) |
| benzaldehyde dehydrogenase (NAD+) activity | Retinal dehydrogenase 1 | Homo sapiens (human) |
| [Information is prepared from geneontology information from the June-17-2024 release] | ||
| Process | via Protein(s) | Taxonomy |
|---|---|---|
| cytoplasm | Retinal dehydrogenase 1 | Homo sapiens (human) |
| cytosol | Retinal dehydrogenase 1 | Homo sapiens (human) |
| axon | Retinal dehydrogenase 1 | Homo sapiens (human) |
| synapse | Retinal dehydrogenase 1 | Homo sapiens (human) |
| extracellular exosome | Retinal dehydrogenase 1 | Homo sapiens (human) |
| [Information is prepared from geneontology information from the June-17-2024 release] | ||
| Assay ID | Title | Year | Journal | Article |
|---|---|---|---|---|
| AID1375833 | Cytotoxicity against 3D culture of human OV90 cells assessed as decrease in cell viability after 6 days by CellTiter-Glo assay | 2018 | Journal of medicinal chemistry, 06-14, Volume: 61, Issue:11 | Discovery of Orally Bioavailable, Quinoline-Based Aldehyde Dehydrogenase 1A1 (ALDH1A1) Inhibitors with Potent Cellular Activity. |
| AID1375835 | Inhibition of ALDH1A1 in human SKOV3TR cells assessed as potentiation of 100 nM paclitaxel-mediated cytotoxicity after 4 days by CellTiter-Glo assay | 2018 | Journal of medicinal chemistry, 06-14, Volume: 61, Issue:11 | Discovery of Orally Bioavailable, Quinoline-Based Aldehyde Dehydrogenase 1A1 (ALDH1A1) Inhibitors with Potent Cellular Activity. |
| AID1375826 | Half life in rat liver microsomes at 1 uM after 15 mins in presence of NADPH LC-MS/MS method | 2018 | Journal of medicinal chemistry, 06-14, Volume: 61, Issue:11 | Discovery of Orally Bioavailable, Quinoline-Based Aldehyde Dehydrogenase 1A1 (ALDH1A1) Inhibitors with Potent Cellular Activity. |
| AID1375824 | Inhibition of human ALDH1A1 using NAD+/propionaldehyde as substrate/cofactor preincubated for 15 mins followed by substrate/cofactor addition measured for 30 mins by fluorescence assay | 2018 | Journal of medicinal chemistry, 06-14, Volume: 61, Issue:11 | Discovery of Orally Bioavailable, Quinoline-Based Aldehyde Dehydrogenase 1A1 (ALDH1A1) Inhibitors with Potent Cellular Activity. |
| AID1375825 | Inhibition of ALDH1A1 in human MIAPaCa2 cells after 30 mins by aldefluor assay | 2018 | Journal of medicinal chemistry, 06-14, Volume: 61, Issue:11 | Discovery of Orally Bioavailable, Quinoline-Based Aldehyde Dehydrogenase 1A1 (ALDH1A1) Inhibitors with Potent Cellular Activity. |
| AID1375832 | Cytotoxicity against 2D culture of human OV90 cells assessed as decrease in cell viability after 6 days by CellTiter-Glo assay | 2018 | Journal of medicinal chemistry, 06-14, Volume: 61, Issue:11 | Discovery of Orally Bioavailable, Quinoline-Based Aldehyde Dehydrogenase 1A1 (ALDH1A1) Inhibitors with Potent Cellular Activity. |
| AID1375836 | Cytotoxicity against human SKOV3/TR cells assessed as decrease in cell viability after 4 days by CellTiter-Glo assay | 2018 | Journal of medicinal chemistry, 06-14, Volume: 61, Issue:11 | Discovery of Orally Bioavailable, Quinoline-Based Aldehyde Dehydrogenase 1A1 (ALDH1A1) Inhibitors with Potent Cellular Activity. |
| AID1375831 | Stabilization of ALDH1A1 in human OV90 cells assessed as increase in melting temperature at 70 degC after 1 hr by CETSA | 2018 | Journal of medicinal chemistry, 06-14, Volume: 61, Issue:11 | Discovery of Orally Bioavailable, Quinoline-Based Aldehyde Dehydrogenase 1A1 (ALDH1A1) Inhibitors with Potent Cellular Activity. |
| [information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||||
| Timeframe | Studies, This Drug (%) | All Drugs % |
|---|---|---|
| pre-1990 | 0 (0.00) | 18.7374 |
| 1990's | 0 (0.00) | 18.2507 |
| 2000's | 0 (0.00) | 29.6817 |
| 2010's | 3 (60.00) | 24.3611 |
| 2020's | 2 (40.00) | 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 moderate demand-to-supply ratio for research on this compound.
| This Compound (20.35) 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 | 5 (100.00%) | 84.16% |
| [information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||