(2S,3S)-nemonapride : An optically active form of nemonapride having (2S,3S)-configuration. [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 | 9952220 |
CHEMBL ID | 274491 |
CHEBI ID | 64218 |
SCHEMBL ID | 50208 |
Synonym |
---|
CHEMBL274491 , |
chebi:64218 , |
NCGC00025273-01 |
cis-n-(1-benzyl-2-methylpyrrolidin-3-yl)-5-chloro-2-methoxy-4-methylaminobenzamide |
n-[(2s,3s)-1-benzyl-2-methylpyrrolidin-3-yl]-5-chloro-2-methoxy-4-(methylamino)benzamide |
bdbm50005120 |
n-((2s,3s)-1-benzyl-2-methyl-pyrrolidin-3-yl)-5-chloro-2-methoxy-4-methylamino-benzamide |
dtxcid60809571 |
dtxsid0042612 , |
tox21_110957 |
cas-75272-39-8 |
(-)-nemonapride |
(2s,3s)-nemonapride |
BRD-K74865981-001-01-3 |
SCHEMBL50208 |
Q27133128 |
Excerpt | Reference | Relevance |
---|---|---|
"The ATP-binding cassette transporter P-glycoprotein (P-gp) is known to limit both brain penetration and oral bioavailability of many chemotherapy drugs." | ( A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein. Ambudkar, SV; Brimacombe, KR; Chen, L; Gottesman, MM; Guha, R; Hall, MD; Klumpp-Thomas, C; Lee, OW; Lee, TD; Lusvarghi, S; Robey, RW; Shen, M; Tebase, BG, 2019) | 0.51 |
Class | Description |
---|---|
N-(1-benzyl-2-methylpyrrolidin-3-yl)-5-chloro-2-methoxy-4-(methylamino)benzamide | A benzamide obtained by formal condensation of the carboxy group of 5-chloro-2-methoxy-4-(methylamino)benzoic acid with the amino group of 1-benzyl-2-methylpyrrolidin-3-amine. |
[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) |
---|---|---|---|---|---|---|---|
TDP1 protein | Homo sapiens (human) | Potency | 11.2393 | 0.0008 | 11.3822 | 44.6684 | AID686978; AID686979 |
pregnane X nuclear receptor | Homo sapiens (human) | Potency | 1.7783 | 0.0054 | 28.0263 | 1,258.9301 | AID1346985 |
estrogen nuclear receptor alpha | Homo sapiens (human) | Potency | 4.7716 | 0.0002 | 29.3054 | 16,493.5996 | AID743075 |
potassium voltage-gated channel subfamily H member 2 isoform d | Homo sapiens (human) | Potency | 12.5893 | 0.0178 | 9.6374 | 44.6684 | AID588834 |
thyroid hormone receptor beta isoform 2 | Rattus norvegicus (Norway rat) | Potency | 29.0145 | 0.0003 | 23.4451 | 159.6830 | AID743065; AID743067 |
ATPase family AAA domain-containing protein 5 | Homo sapiens (human) | Potency | 29.8493 | 0.0119 | 17.9420 | 71.5630 | AID651632 |
Ataxin-2 | Homo sapiens (human) | Potency | 29.8493 | 0.0119 | 12.2221 | 68.7989 | AID651632 |
[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) |
---|---|---|---|---|---|---|---|
D(2) dopamine receptor | Rattus norvegicus (Norway rat) | IC50 (µMol) | 0.0005 | 0.0001 | 0.5494 | 8.4000 | AID64596 |
D(2) dopamine receptor | Rattus norvegicus (Norway rat) | Ki | 0.0001 | 0.0000 | 0.4375 | 10.0000 | AID65260 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Process | via Protein(s) | Taxonomy |
---|---|---|
protein binding | ATPase family AAA domain-containing protein 5 | Homo sapiens (human) |
ATP binding | ATPase family AAA domain-containing protein 5 | Homo sapiens (human) |
ATP hydrolysis activity | ATPase family AAA domain-containing protein 5 | Homo sapiens (human) |
DNA clamp unloader activity | ATPase family AAA domain-containing protein 5 | Homo sapiens (human) |
DNA binding | ATPase family AAA domain-containing protein 5 | Homo sapiens (human) |
RNA binding | Ataxin-2 | Homo sapiens (human) |
epidermal growth factor receptor binding | Ataxin-2 | Homo sapiens (human) |
protein binding | Ataxin-2 | Homo sapiens (human) |
mRNA binding | Ataxin-2 | Homo sapiens (human) |
[Information is prepared from geneontology information from the June-17-2024 release] |
Process | via Protein(s) | Taxonomy |
---|---|---|
Elg1 RFC-like complex | ATPase family AAA domain-containing protein 5 | Homo sapiens (human) |
nucleus | ATPase family AAA domain-containing protein 5 | Homo sapiens (human) |
cytoplasm | Ataxin-2 | Homo sapiens (human) |
Golgi apparatus | Ataxin-2 | Homo sapiens (human) |
trans-Golgi network | Ataxin-2 | Homo sapiens (human) |
cytosol | Ataxin-2 | Homo sapiens (human) |
cytoplasmic stress granule | Ataxin-2 | Homo sapiens (human) |
membrane | Ataxin-2 | Homo sapiens (human) |
perinuclear region of cytoplasm | Ataxin-2 | Homo sapiens (human) |
ribonucleoprotein complex | Ataxin-2 | Homo sapiens (human) |
cytoplasmic stress granule | Ataxin-2 | Homo sapiens (human) |
[Information is prepared from geneontology information from the June-17-2024 release] |
Assay ID | Title | Year | Journal | Article |
---|---|---|---|---|
AID1296008 | Cytotoxic Profiling of Annotated Libraries Using Quantitative High-Throughput Screening | 2020 | SLAS discovery : advancing life sciences R & D, 01, Volume: 25, Issue:1 | Cytotoxic Profiling of Annotated and Diverse Chemical Libraries Using Quantitative High-Throughput Screening. |
AID1346986 | P-glycoprotein substrates identified in KB-3-1 adenocarcinoma cell line, qHTS therapeutic library screen | 2019 | Molecular pharmacology, 11, Volume: 96, Issue:5 | A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein. |
AID1346987 | P-glycoprotein substrates identified in KB-8-5-11 adenocarcinoma cell line, qHTS therapeutic library screen | 2019 | Molecular pharmacology, 11, Volume: 96, Issue:5 | A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein. |
AID1347154 | Primary screen GU AMC qHTS for Zika virus inhibitors | 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. |
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. |
AID64596 | Inhibitory concentration required for displacing radioligand [3H]SPI from DA D-2 receptor | 1992 | Journal of medicinal chemistry, Jun-26, Volume: 35, Issue:13 | Conformational analysis of dopamine D-2 receptor antagonists of the benzamide series in relation to a recently proposed D-2 receptor-interaction model. |
AID65260 | Compound was evaluated for binding affinity towards DA D-2 receptor using radioligand [3H]SPI | 1992 | Journal of medicinal chemistry, Jun-26, Volume: 35, Issue:13 | Conformational analysis of dopamine D-2 receptor antagonists of the benzamide series in relation to a recently proposed D-2 receptor-interaction model. |
[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 | 1 (20.00) | 18.2507 |
2000's | 0 (0.00) | 29.6817 |
2010's | 1 (20.00) | 24.3611 |
2020's | 3 (60.00) | 2.80 |
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] |
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] |