nemadipine-A: structure in first source [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]
nemadipine-A : A dihydropyridine that is that is 1,4-dihydropyridine which is substituted at positions 2 and 6 by methyl groups, at positions 3 and 5 by ethoxycarbonyl groups, and at position 4 by a pentafluorophenyl group. An L-type calcium channel alpha1-subunit antagonist. When exposed to the microscopic soil nematode Caenorhabditis elegans, nemadipine-A induces a variety of defects including those affecting morphology and egg laying. [Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]
| ID Source | ID |
|---|---|
| PubMed CID | 2856102 |
| CHEMBL ID | 1516111 |
| CHEBI ID | 78546 |
| MeSH ID | M0498438 |
| Synonym |
|---|
| AKOS005445669 |
| diethyl 2,6-dimethyl-4-(pentafluorophenyl)-1,4-dihydropyridine-3,5-dicarboxylate |
| STK370994 |
| nemadipine-a |
| NCGC00186027-01 |
| diethyl 2,6-dimethyl-4-(2,3,4,5,6-pentafluorophenyl)-1,4-dihydropyridine-3,5-dicarboxylate |
| HMS3262D09 |
| chebi:78546 , |
| CHEMBL1516111 |
| 1,4-dihydro-2,6-dimethyl-4-(pentafluorophenyl)-3,5-pyridinedicarboxylic acid diethyl ester |
| 54280-71-6 |
| 1,4-dihydro-2,6-dimethyl-4-(pentafluorophenyl)-3,5-pyridinedicarboxylic acid diethyl ester |
| LP00814 |
| CCG-222118 |
| nemadipine a |
| tox21_500814 |
| NCGC00261499-01 |
| DTXSID70386247 |
| Q27147848 |
| SDCCGSBI-0633758.P001 |
| NCGC00186027-03 |
| CS-0105772 |
| HY-126583 |
| Role | Description |
|---|---|
| calcium channel blocker | One of a class of drugs that acts by selective inhibition of calcium influx through cell membranes or on the release and binding of calcium in intracellular pools. |
| [role information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res] | |
| Class | Description |
|---|---|
| dihydropyridine | |
| diester | A diester is a compound containing two ester groups. |
| pentafluorobenzenes | Any member of the class of fluorobenzenes carrying five fluorine substituents at unspecified positions. |
| ethyl ester | Any carboxylic ester resulting from the formal condensation of the carboxy group of a carboxylic acid with ethanol. |
| dicarboxylic acids and O-substituted derivatives | A class of carbonyl compound encompassing dicarboxylic acids and any derivatives obtained by substitution of either one or both of the carboxy hydrogens. |
| [compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res] | |
| Protein | Taxonomy | Measurement | Average (µ) | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
|---|---|---|---|---|---|---|---|
| thioredoxin reductase | Rattus norvegicus (Norway rat) | Potency | 28.7968 | 0.1000 | 20.8793 | 79.4328 | AID588453; AID588456 |
| ATAD5 protein, partial | Homo sapiens (human) | Potency | 20.3292 | 0.0041 | 10.8903 | 31.5287 | AID493106; AID493107 |
| USP1 protein, partial | Homo sapiens (human) | Potency | 17.7828 | 0.0316 | 37.5844 | 354.8130 | AID504865 |
| GLS protein | Homo sapiens (human) | Potency | 5.6234 | 0.3548 | 7.9355 | 39.8107 | AID624146 |
| regulator of G-protein signaling 4 | Homo sapiens (human) | Potency | 15.0030 | 0.5318 | 15.4358 | 37.6858 | AID504845 |
| estrogen-related nuclear receptor alpha | Homo sapiens (human) | Potency | 18.5166 | 0.0015 | 30.6073 | 15,848.9004 | AID1224819; AID1224820; AID1224821 |
| Parkin | Homo sapiens (human) | Potency | 4.1095 | 0.8199 | 14.8306 | 44.6684 | AID720572 |
| arylsulfatase A | Homo sapiens (human) | Potency | 3.3808 | 1.0691 | 13.9551 | 37.9330 | AID720538 |
| heat shock 70kDa protein 5 (glucose-regulated protein, 78kDa) | Homo sapiens (human) | Potency | 58.4789 | 0.0165 | 25.3078 | 41.3999 | AID602332 |
| D(1A) dopamine receptor | Homo sapiens (human) | Potency | 31.6228 | 0.0224 | 5.9449 | 22.3872 | AID488983 |
| atrial natriuretic peptide receptor 1 precursor | Homo sapiens (human) | Potency | 26.8545 | 0.1346 | 10.3950 | 30.1313 | AID1347049 |
| chromobox protein homolog 1 | Homo sapiens (human) | Potency | 25.1189 | 0.0060 | 26.1688 | 89.1251 | AID488953 |
| atrial natriuretic peptide receptor 2 precursor | Homo sapiens (human) | Potency | 14.6892 | 0.0066 | 9.8094 | 18.4927 | AID1347050 |
| ras-related protein Rab-9A | Homo sapiens (human) | Potency | 58.0479 | 0.0002 | 2.6215 | 31.4954 | AID485297 |
| serine/threonine-protein kinase mTOR isoform 1 | Homo sapiens (human) | Potency | 20.4612 | 0.0037 | 8.6189 | 23.2809 | AID2660; AID2666; AID2667; AID2668 |
| DNA polymerase kappa isoform 1 | Homo sapiens (human) | Potency | 29.9349 | 0.0316 | 22.3146 | 100.0000 | AID588579 |
| M-phase phosphoprotein 8 | Homo sapiens (human) | Potency | 21.1923 | 0.1778 | 24.7352 | 79.4328 | AID488949 |
| Alpha-synuclein | Homo sapiens (human) | Potency | 29.0929 | 0.5623 | 9.3985 | 25.1189 | AID652106 |
| D(1A) dopamine receptor | Sus scrofa (pig) | Potency | 20.7491 | 0.0037 | 8.1081 | 23.2809 | AID2667 |
| Single-stranded DNA cytosine deaminase | Homo sapiens (human) | Potency | 50.1187 | 28.1838 | 60.1453 | 89.1251 | AID1347427 |
| ATP-dependent phosphofructokinase | Trypanosoma brucei brucei TREU927 | Potency | 37.9330 | 0.0601 | 10.7453 | 37.9330 | AID485368 |
| [prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] | |||||||
| Assay ID | Title | Year | Journal | Article |
|---|---|---|---|---|
| AID504836 | Inducers of the Endoplasmic Reticulum Stress Response (ERSR) in human glioma: Validation | 2002 | The Journal of biological chemistry, Apr-19, Volume: 277, Issue:16 | Sustained ER Ca2+ depletion suppresses protein synthesis and induces activation-enhanced cell death in mast cells. |
| AID1347049 | Natriuretic polypeptide receptor (hNpr1) antagonism - Pilot screen | 2019 | Science translational medicine, 07-10, Volume: 11, Issue:500 | Inhibition of natriuretic peptide receptor 1 reduces itch in mice. |
| AID588349 | qHTS for Inhibitors of ATXN expression: Validation of Cytotoxic Assay | |||
| AID1508630 | Primary qHTS for small molecule stabilizers of the endoplasmic reticulum resident proteome: Secreted ER Calcium Modulated Protein (SERCaMP) assay | 2021 | Cell reports, 04-27, Volume: 35, Issue:4 | A target-agnostic screen identifies approved drugs to stabilize the endoplasmic reticulum-resident proteome. |
| AID1347059 | CD47-SIRPalpha protein protein interaction - Alpha assay qHTS validation | 2019 | PloS one, , Volume: 14, Issue:7 | Quantitative high-throughput screening assays for the discovery and development of SIRPα-CD47 interaction inhibitors. |
| AID1347057 | CD47-SIRPalpha protein protein interaction - LANCE assay qHTS validation | 2019 | PloS one, , Volume: 14, Issue:7 | Quantitative high-throughput screening assays for the discovery and development of SIRPα-CD47 interaction inhibitors. |
| AID1347083 | qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: Viability assay - alamar blue signal for LASV Primary Screen | 2020 | Antiviral research, 01, Volume: 173 | A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity. |
| AID1347082 | qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: LASV Primary Screen - GLuc reporter signal | 2020 | Antiviral research, 01, Volume: 173 | A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity. |
| AID1347086 | qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lymphocytic Choriomeningitis Arenaviruses (LCMV): LCMV Primary Screen - GLuc reporter signal | 2020 | Antiviral research, 01, Volume: 173 | A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity. |
| AID1347405 | qHTS to identify inhibitors of the type 1 interferon - major histocompatibility complex class I in skeletal muscle: primary screen against the NCATS LOPAC collection | 2020 | ACS chemical biology, 07-17, Volume: 15, Issue:7 | High-Throughput Screening to Identify Inhibitors of the Type I Interferon-Major Histocompatibility Complex Class I Pathway in Skeletal Muscle. |
| AID504812 | Inverse Agonists of the Thyroid Stimulating Hormone Receptor: HTS campaign | 2010 | Endocrinology, Jul, Volume: 151, Issue:7 | A small molecule inverse agonist for the human thyroid-stimulating hormone receptor. |
| AID588378 | qHTS for Inhibitors of ATXN expression: Validation | |||
| AID1347058 | CD47-SIRPalpha protein protein interaction - HTRF assay qHTS validation | 2019 | PloS one, , Volume: 14, Issue:7 | Quantitative high-throughput screening assays for the discovery and development of SIRPα-CD47 interaction inhibitors. |
| AID1347151 | Optimization of GU AMC qHTS for Zika virus inhibitors: Unlinked NS2B-NS3 protease assay | 2020 | Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49 | Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors. |
| AID1347050 | Natriuretic polypeptide receptor (hNpr2) antagonism - Pilot subtype selectivity assay | 2019 | Science translational medicine, 07-10, Volume: 11, Issue:500 | Inhibition of natriuretic peptide receptor 1 reduces itch in mice. |
| AID504810 | Antagonists of the Thyroid Stimulating Hormone Receptor: HTS campaign | 2010 | Endocrinology, Jul, Volume: 151, Issue:7 | A small molecule inverse agonist for the human thyroid-stimulating hormone receptor. |
| AID1347045 | Natriuretic polypeptide receptor (hNpr1) antagonism - Pilot counterscreen GloSensor control cell line | 2019 | Science translational medicine, 07-10, Volume: 11, Issue:500 | Inhibition of natriuretic peptide receptor 1 reduces itch in mice. |
| AID1347410 | qHTS for inhibitors of adenylyl cyclases using a fission yeast platform: a pilot screen against the NCATS LOPAC library | 2019 | Cellular signalling, 08, Volume: 60 | A fission yeast platform for heterologous expression of mammalian adenylyl cyclases and high throughput screening. |
| AID1347412 | qHTS assay to identify inhibitors of the type 1 interferon - major histocompatibility complex class I in skeletal muscle: Counter screen cell viability and HiBit confirmation | 2020 | ACS chemical biology, 07-17, Volume: 15, Issue:7 | High-Throughput Screening to Identify Inhibitors of the Type I Interferon-Major Histocompatibility Complex Class I Pathway in Skeletal Muscle. |
| AID1794808 | Fluorescence-based screening to identify small molecule inhibitors of Plasmodium falciparum apicoplast DNA polymerase (Pf-apPOL). | 2014 | Journal of biomolecular screening, Jul, Volume: 19, Issue:6 | A High-Throughput Assay to Identify Inhibitors of the Apicoplast DNA Polymerase from Plasmodium falciparum. |
| AID1794808 | Fluorescence-based screening to identify small molecule inhibitors of Plasmodium falciparum apicoplast DNA polymerase (Pf-apPOL). | |||
| AID675413 | Potentiation of forskolin-induced CFTR deltaF508 mutant expressed in FRT cells co-expressing halide-sensitive YFP-H148Q/I152L by fluorescence quenching assay | 2012 | European journal of medicinal chemistry, Sep, Volume: 55 | Ligand-based design, in silico ADME-Tox filtering, synthesis and biological evaluation to discover new soluble 1,4-DHP-based CFTR activators. |
| AID675414 | Inhibition of L-type voltage-dependent Ca2+ channel at 1 uM | 2012 | European journal of medicinal chemistry, Sep, Volume: 55 | Ligand-based design, in silico ADME-Tox filtering, synthesis and biological evaluation to discover new soluble 1,4-DHP-based CFTR activators. |
| [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 | 3 (18.75) | 29.6817 |
| 2010's | 7 (43.75) | 24.3611 |
| 2020's | 6 (37.50) | 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 (17.16) 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 | 16 (100.00%) | 84.16% |
| [information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||