Page last updated: 2024-11-13
LSM-2536
Description
Research Excerpts
Clinical Trials
Roles
Classes
Pathways
Study Profile
Bioassays
Related Drugs
Related Conditions
Protein Interactions
Research Growth
Cross-References
| ID Source | ID |
|---|---|
| PubMed CID | 44665680 |
| CHEMBL ID | 1729417 |
| CHEBI ID | 92431 |
| SCHEMBL ID | 14793354 |
Synonyms (25)
| Synonym |
|---|
| ksc-1-256 |
| ml190 |
| KUC104502N , |
| ksc-21-150 |
| KUC104502N-02 |
| smr001883410 |
| MLS003179295 , |
| SCHEMBL14793354 |
| ml 190 |
| 1355244-02-8 |
| CHEMBL1729417 |
| n-[3-[4-(4-methoxyphenyl)-1-piperazinyl]propyl]-1-methyl-6-oxopyrido[2,3-e]pyrrolo[1,2-a]pyrazine-5(6h)-acetamide |
| cid_44665680 |
| bdbm71610 |
| AKOS024458385 |
| CHEBI:92431 |
| n-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2-(13-methyl-7-oxo-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(13),3,5,9,11-pentaen-8-yl)acetamide |
| NCGC00379218-04 |
| n-(3-(4-(4-methoxyphenyl)piperazin-1-yl)propyl)-2-(1-methyl-6-oxopyrido[2,3-e]pyrrolo[1,2-a]pyrazin-5(6h)-yl)acetamide |
| PMTIWRPLQBVEMR-UHFFFAOYSA-N , |
| lsm-2536 |
| Q27164167 |
| AS-16628 |
| CS-0029453 |
| HY-107749 |
Research Excerpts
Bioavailability
| 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 |
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]
Drug Classes (1)
| Class | Description |
|---|---|
| piperazines | |
| [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 Targets (15)
Potency Measurements
| Protein | Taxonomy | Measurement | Average (µ) | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
|---|---|---|---|---|---|---|---|
| cytochrome P450 family 3 subfamily A polypeptide 4 | Homo sapiens (human) | Potency | 9.5221 | 0.0123 | 7.9835 | 43.2770 | AID1645841 |
| G | Vesicular stomatitis virus | Potency | 11.9877 | 0.0123 | 8.9648 | 39.8107 | AID1645842 |
| Interferon beta | Homo sapiens (human) | Potency | 11.9877 | 0.0033 | 9.1582 | 39.8107 | AID1645842 |
| HLA class I histocompatibility antigen, B alpha chain | Homo sapiens (human) | Potency | 11.9877 | 0.0123 | 8.9648 | 39.8107 | AID1645842 |
| Inositol hexakisphosphate kinase 1 | Homo sapiens (human) | Potency | 11.9877 | 0.0123 | 8.9648 | 39.8107 | AID1645842 |
| cytochrome P450 2C9, partial | Homo sapiens (human) | Potency | 11.9877 | 0.0123 | 8.9648 | 39.8107 | AID1645842 |
| [prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] | |||||||
Inhibition Measurements
| Protein | Taxonomy | Measurement | Average | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
|---|---|---|---|---|---|---|---|
| mu opioid receptor, partial | Homo sapiens (human) | IC50 (µMol) | 32.0000 | 8.4300 | 8.4300 | 8.4300 | AID488842 |
| kappa-type opioid receptor isoform 1 | Homo sapiens (human) | IC50 (µMol) | 0.0815 | 0.0032 | 2.6737 | 15.6000 | AID434981; AID488925; AID488935 |
| Sodium-dependent noradrenaline transporter | Homo sapiens (human) | Ki | 1.0000 | 0.0003 | 1.4656 | 10.0000 | AID1139357 |
| Histamine H1 receptor | Homo sapiens (human) | Ki | 1.0000 | 0.0000 | 0.5110 | 10.0000 | AID1139352 |
| Mu-type opioid receptor | Homo sapiens (human) | IC50 (µMol) | 32.0000 | 0.0001 | 0.8133 | 10.0000 | AID1139347 |
| D(3) dopamine receptor | Homo sapiens (human) | Ki | 1.0000 | 0.0000 | 0.6020 | 10.0000 | AID1139359 |
| Delta-type opioid receptor | Homo sapiens (human) | IC50 (µMol) | 32.0000 | 0.0002 | 0.7521 | 8.0140 | AID1139350 |
| Kappa-type opioid receptor | Homo sapiens (human) | IC50 (µMol) | 0.0810 | 0.0000 | 1.2011 | 10.0000 | AID1139348; AID1139349; AID1859165 |
| [prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] | |||||||
Biological Processes (146)
Molecular Functions (42)
Ceullar Components (40)
Bioassays (18)
| 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. |
| 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. |
| 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. |
| AID1347159 | Primary screen GU Rhodamine 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. |
| AID1347160 | Primary screen NINDS Rhodamine 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. |
| AID1139350 | Inhibition of delta opioid receptor (unknown origin) using SNC-80 by high content imaging beta-arrestin translocation assay | 2014 | Bioorganic & medicinal chemistry letters, May-01, Volume: 24, Issue:9 | Antagonists of the kappa opioid receptor. |
| AID1139357 | Binding affinity to NET (unknown origin) | 2014 | Bioorganic & medicinal chemistry letters, May-01, Volume: 24, Issue:9 | Antagonists of the kappa opioid receptor. |
| AID1859165 | Antagonist at KOR expressed in human U2OS cells measured by High content imaging based beta-arrestin translocation assay | 2022 | European journal of medicinal chemistry, Feb-05, Volume: 229 | Functionalized quinoxalinones as privileged structures with broad-ranging pharmacological activities. |
| AID1139352 | Binding affinity to histamine H1 receptor (unknown origin) | 2014 | Bioorganic & medicinal chemistry letters, May-01, Volume: 24, Issue:9 | Antagonists of the kappa opioid receptor. |
| AID1139362 | Selectivity ratio of IC50 for delta opioid receptor (unknown origin) by HCS assay to IC50 for kappa opioid receptor (unknown origin) by DRx assay | 2014 | Bioorganic & medicinal chemistry letters, May-01, Volume: 24, Issue:9 | Antagonists of the kappa opioid receptor. |
| AID1139347 | Inhibition of mu opioid receptor (unknown origin) using DAMGO by high content imaging beta-arrestin translocation assay | 2014 | Bioorganic & medicinal chemistry letters, May-01, Volume: 24, Issue:9 | Antagonists of the kappa opioid receptor. |
| AID1139359 | Binding affinity to dopamine D3 receptor (unknown origin) | 2014 | Bioorganic & medicinal chemistry letters, May-01, Volume: 24, Issue:9 | Antagonists of the kappa opioid receptor. |
| AID1139364 | Drug metabolism in mouse liver microsomes assessed as compound remaining after 1 hr | 2014 | Bioorganic & medicinal chemistry letters, May-01, Volume: 24, Issue:9 | Antagonists of the kappa opioid receptor. |
| AID1139361 | Selectivity ratio of IC50 for mu opioid receptor (unknown origin) by HCS assay to IC50 for kappa opioid receptor (unknown origin) by DRx assay | 2014 | Bioorganic & medicinal chemistry letters, May-01, Volume: 24, Issue:9 | Antagonists of the kappa opioid receptor. |
| AID1139348 | Inhibition of kappa opioid receptor (unknown origin) using dynorphin A by DiscoveryRx b-arrestin PathHunter assay | 2014 | Bioorganic & medicinal chemistry letters, May-01, Volume: 24, Issue:9 | Antagonists of the kappa opioid receptor. |
| AID1859167 | Metabolic stability in human liver microsomes assessed as compound remaining after 1 hr | 2022 | European journal of medicinal chemistry, Feb-05, Volume: 229 | Functionalized quinoxalinones as privileged structures with broad-ranging pharmacological activities. |
| AID1859166 | Permeability of the compound across blood brain barrier at pH 7.4 by PAMPA | 2022 | European journal of medicinal chemistry, Feb-05, Volume: 229 | Functionalized quinoxalinones as privileged structures with broad-ranging pharmacological activities. |
| AID1139349 | Inhibition of kappa opioid receptor (unknown origin) using dynorphin A by high content imaging beta-arrestin translocation assay | 2014 | Bioorganic & medicinal chemistry letters, May-01, Volume: 24, Issue:9 | Antagonists of the kappa opioid receptor. |
| [information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||||
Research
Studies (5)
| 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 | 2 (40.00) | 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] | ||
Study Types
| Publication Type | This drug (%) | All Drugs (%) |
|---|---|---|
| Trials | 0 (0.00%) | 5.53% |
| Reviews | 2 (40.00%) | 6.00% |
| Case Studies | 0 (0.00%) | 4.05% |
| Observational | 0 (0.00%) | 0.25% |
| Other | 3 (60.00%) | 84.16% |
| [information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||