Page last updated: 2024-12-10
ml106
Description
Research Excerpts
Clinical Trials
Roles
Classes
Pathways
Study Profile
Bioassays
Related Drugs
Related Conditions
Protein Interactions
Research Growth
Market Indicators
Description
ML106: imidazobenzimidazole, inhibits melanin synthesis; structure in first source [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]
Cross-References
| ID Source | ID |
|---|---|
| PubMed CID | 3232621 |
| CHEMBL ID | 567331 |
| CHEBI ID | 93238 |
| SCHEMBL ID | 1675086 |
| MeSH ID | M000595494 |
Synonyms (19)
| Synonym |
|---|
| NCGC00010037 , |
| pcop-13800 |
| NCGC00010037-02 |
| ml106 |
| NCGC00010037-03 |
| MLS002276464 |
| smr001318005 |
| CHEMBL567331 , |
| 6-(1,3-benzodioxol-5-yl)-n-(thiophen-2-ylmethyl)quinazolin-4-amine |
| 6-(benzo[d][1,3]dioxol-5-yl)-n-(thiophen-2-ylmethyl)quinazolin-4-amine |
| bdbm50302986 |
| HMS2210G24 |
| NCGC00010037-04 |
| BRD-K70693222-001-06-1 |
| HMS3340D05 |
| SCHEMBL1675086 |
| CHEBI:93238 |
| 6-(1,3-benzodioxol-5-yl)-n-(thiophen-2-ylmethyl)-4-quinazolinamine |
| Q27164956 |
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 |
|---|---|
| quinazolines | Any organic heterobicyclic compound based on a quinazoline skeleton and its substituted derivatives. |
| [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 (42)
Potency Measurements
| Protein | Taxonomy | Measurement | Average (µ) | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
|---|---|---|---|---|---|---|---|
| Chain A, Beta-lactamase | Escherichia coli K-12 | Potency | 0.3548 | 0.0447 | 17.8581 | 100.0000 | AID485294 |
| Chain A, HADH2 protein | Homo sapiens (human) | Potency | 25.1189 | 0.0251 | 20.2376 | 39.8107 | AID893 |
| Chain B, HADH2 protein | Homo sapiens (human) | Potency | 25.1189 | 0.0251 | 20.2376 | 39.8107 | AID893 |
| Chain A, JmjC domain-containing histone demethylation protein 3A | Homo sapiens (human) | Potency | 79.4328 | 0.6310 | 35.7641 | 100.0000 | AID504339 |
| Chain A, 2-oxoglutarate Oxygenase | Homo sapiens (human) | Potency | 31.6228 | 0.1778 | 14.3909 | 39.8107 | AID2147 |
| Chain A, ATP-DEPENDENT DNA HELICASE Q1 | Homo sapiens (human) | Potency | 39.8107 | 0.1259 | 19.1169 | 125.8920 | AID2549 |
| thioredoxin reductase | Rattus norvegicus (Norway rat) | Potency | 19.9526 | 0.1000 | 20.8793 | 79.4328 | AID588456 |
| 15-lipoxygenase, partial | Homo sapiens (human) | Potency | 31.6228 | 0.0126 | 10.6917 | 88.5700 | AID887 |
| ATAD5 protein, partial | Homo sapiens (human) | Potency | 29.0810 | 0.0041 | 10.8903 | 31.5287 | AID504467 |
| TDP1 protein | Homo sapiens (human) | Potency | 15.4594 | 0.0008 | 11.3822 | 44.6684 | AID686978; AID686979 |
| Microtubule-associated protein tau | Homo sapiens (human) | Potency | 12.5893 | 0.1800 | 13.5574 | 39.8107 | AID1468 |
| Smad3 | Homo sapiens (human) | Potency | 14.1254 | 0.0052 | 7.8098 | 29.0929 | AID588855 |
| aldehyde dehydrogenase 1 family, member A1 | Homo sapiens (human) | Potency | 28.1838 | 0.0112 | 12.4002 | 100.0000 | AID1030 |
| thyroid stimulating hormone receptor | Homo sapiens (human) | Potency | 12.5893 | 0.0013 | 18.0743 | 39.8107 | AID926; AID938 |
| cytochrome P450 2D6 isoform 1 | Homo sapiens (human) | Potency | 0.3981 | 0.0020 | 7.5337 | 39.8107 | AID891 |
| cytochrome P450 2C19 precursor | Homo sapiens (human) | Potency | 3.9811 | 0.0025 | 5.8400 | 31.6228 | AID899 |
| cytochrome P450 2C9 precursor | Homo sapiens (human) | Potency | 0.7943 | 0.0063 | 6.9043 | 39.8107 | AID883 |
| 15-hydroxyprostaglandin dehydrogenase [NAD(+)] isoform 1 | Homo sapiens (human) | Potency | 15.8489 | 0.0018 | 15.6638 | 39.8107 | AID894 |
| dual specificity protein kinase CLK3 | Homo sapiens (human) | Potency | 4.3850 | 4.3850 | 4.6670 | 4.9490 | AID504428 |
| nuclear factor erythroid 2-related factor 2 isoform 2 | Homo sapiens (human) | Potency | 29.0929 | 0.0041 | 9.9848 | 25.9290 | AID504444 |
| dual specificity tyrosine-phosphorylation-regulated kinase 1A isoform 1 | Homo sapiens (human) | Potency | 0.1405 | 0.0130 | 7.4878 | 29.1922 | AID2705; AID493206; AID504424 |
| mitogen-activated protein kinase 1 | Homo sapiens (human) | Potency | 15.6730 | 0.0398 | 16.7842 | 39.8107 | AID1454; AID995 |
| dual specificity protein kinase CLK2 isoform 2 | Homo sapiens (human) | Potency | 0.5740 | 0.1730 | 0.7983 | 1.6480 | AID504427 |
| flap endonuclease 1 | Homo sapiens (human) | Potency | 17.7828 | 0.1337 | 25.4129 | 89.1251 | AID588795 |
| dual specificity tyrosine-phosphorylation-regulated kinase 1B isoform p69 | Homo sapiens (human) | Potency | 0.4510 | 0.0730 | 1.6480 | 4.4200 | AID504429 |
| dual specificity protein kinase CLK4 | Homo sapiens (human) | Potency | 0.0531 | 0.0116 | 3.7867 | 31.6228 | AID1969; AID1970; AID1983; AID493204; AID504421 |
| lethal factor (plasmid) | Bacillus anthracis str. A2012 | Potency | 25.1189 | 0.0200 | 10.7869 | 31.6228 | AID912 |
| lamin isoform A-delta10 | Homo sapiens (human) | Potency | 14.1254 | 0.8913 | 12.0676 | 28.1838 | AID1487 |
| Adenosine receptor A1 | Rattus norvegicus (Norway rat) | Potency | 0.0708 | 0.0631 | 4.1371 | 15.8489 | AID1969 |
| Adenosine receptor A3 | Rattus norvegicus (Norway rat) | Potency | 0.0708 | 0.0631 | 3.8038 | 14.1254 | AID1969 |
| Adenosine receptor A2b | Rattus norvegicus (Norway rat) | Potency | 0.0708 | 0.0631 | 3.8038 | 14.1254 | AID1969 |
| Adenosine receptor A2a | Rattus norvegicus (Norway rat) | Potency | 0.0708 | 0.0631 | 3.8038 | 14.1254 | AID1969 |
| Histamine H2 receptor | Cavia porcellus (domestic guinea pig) | Potency | 0.7943 | 0.0063 | 8.2350 | 39.8107 | AID883 |
| [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) |
|---|---|---|---|---|---|---|---|
| Dual specificity protein kinase CLK1 | Homo sapiens (human) | IC50 (µMol) | 0.0590 | 0.0074 | 0.4344 | 2.1000 | AID594076 |
| Dual specificity protein kinase CLK2 | Homo sapiens (human) | IC50 (µMol) | 1.9020 | 0.0005 | 0.7554 | 8.0380 | AID594077 |
| Dual specificity protein kinase CLK3 | Homo sapiens (human) | IC50 (µMol) | 6.9360 | 0.0410 | 2.0143 | 8.7440 | AID594078 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | Homo sapiens (human) | IC50 (µMol) | 0.0445 | 0.0031 | 0.7140 | 9.0120 | AID594048; AID594049 |
| Dual specificity protein kinase CLK4 | Homo sapiens (human) | IC50 (µMol) | 0.0510 | 0.0110 | 1.0694 | 7.9430 | AID445566; AID594050 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1B | Homo sapiens (human) | IC50 (µMol) | 0.6970 | 0.0010 | 0.5851 | 4.4200 | AID594079 |
| [prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] | |||||||
Activation Measurements
| Protein | Taxonomy | Measurement | Average | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | Homo sapiens (human) | Kd | 0.2300 | 0.0001 | 1.3514 | 20.8270 | AID445580 |
| Dual specificity protein kinase CLK1 | Homo sapiens (human) | Kd | 0.0370 | 0.0020 | 1.8791 | 29.8810 | AID445567 |
| Dual specificity protein kinase CLK2 | Homo sapiens (human) | Kd | 0.6800 | 0.0070 | 1.1384 | 6.5000 | AID445568 |
| Dual specificity protein kinase CLK3 | Homo sapiens (human) | Kd | 0.4700 | 0.0100 | 2.4499 | 9.0000 | AID445569 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | Homo sapiens (human) | Kd | 0.0270 | 0.0001 | 2.1016 | 40.2910 | AID445575 |
| Dual specificity protein kinase CLK4 | Homo sapiens (human) | Kd | 0.0500 | 0.0020 | 1.4122 | 8.3000 | AID445570 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1B | Homo sapiens (human) | Kd | 0.4300 | 0.0280 | 1.8129 | 9.5000 | AID445576 |
| [prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] | |||||||
Other Measurements
| Protein | Taxonomy | Measurement | Average | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
|---|---|---|---|---|---|---|---|
| CDC-like kinase 1, isoform CRA_c | Homo sapiens (human) | AC50 | 0.0171 | 0.0019 | 2.2088 | 16.9100 | AID588811 |
| dual specificity tyrosine-phosphorylation-regulated kinase 1A | Rattus norvegicus (Norway rat) | AC50 | 0.0380 | 0.0056 | 4.6932 | 26.6940 | AID588345; AID588449 |
| [prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] | |||||||
Biological Processes (109)
Molecular Functions (36)
Ceullar Components (37)
Bioassays (31)
| Assay ID | Title | Year | Journal | Article |
|---|---|---|---|---|
| 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. |
| 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. |
| 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. |
| AID594079 | Inhibition of Dyrk1B kinase using ATP as substrate by 33P radiolabeled kinase assay | 2011 | Bioorganic & medicinal chemistry letters, May-15, Volume: 21, Issue:10 | Potent and selective small molecule inhibitors of specific isoforms of Cdc2-like kinases (Clk) and dual specificity tyrosine-phosphorylation-regulated kinases (Dyrk). |
| AID594076 | Inhibition of Clk1 kinase using ATP as substrate by 33P radiolabeled kinase assay | 2011 | Bioorganic & medicinal chemistry letters, May-15, Volume: 21, Issue:10 | Potent and selective small molecule inhibitors of specific isoforms of Cdc2-like kinases (Clk) and dual specificity tyrosine-phosphorylation-regulated kinases (Dyrk). |
| AID594049 | Inhibition of Dyrk1A kinase using ATP as substrate by 33P radiolabeled kinase assay | 2011 | Bioorganic & medicinal chemistry letters, May-15, Volume: 21, Issue:10 | Potent and selective small molecule inhibitors of specific isoforms of Cdc2-like kinases (Clk) and dual specificity tyrosine-phosphorylation-regulated kinases (Dyrk). |
| AID445576 | Binding affinity to Dyrk1B assessed as dissociation constant | 2009 | Bioorganic & medicinal chemistry letters, Dec-01, Volume: 19, Issue:23 | Evaluation of substituted 6-arylquinazolin-4-amines as potent and selective inhibitors of cdc2-like kinases (Clk). |
| AID445569 | Binding affinity to Clk3 assessed as dissociation constant | 2009 | Bioorganic & medicinal chemistry letters, Dec-01, Volume: 19, Issue:23 | Evaluation of substituted 6-arylquinazolin-4-amines as potent and selective inhibitors of cdc2-like kinases (Clk). |
| AID445567 | Binding affinity to Clk1 assessed as dissociation constant | 2009 | Bioorganic & medicinal chemistry letters, Dec-01, Volume: 19, Issue:23 | Evaluation of substituted 6-arylquinazolin-4-amines as potent and selective inhibitors of cdc2-like kinases (Clk). |
| AID594078 | Inhibition of Clk3 kinase using ATP as substrate by 33P radiolabeled kinase assay | 2011 | Bioorganic & medicinal chemistry letters, May-15, Volume: 21, Issue:10 | Potent and selective small molecule inhibitors of specific isoforms of Cdc2-like kinases (Clk) and dual specificity tyrosine-phosphorylation-regulated kinases (Dyrk). |
| AID445575 | Binding affinity to Dyrk1A assessed as dissociation constant | 2009 | Bioorganic & medicinal chemistry letters, Dec-01, Volume: 19, Issue:23 | Evaluation of substituted 6-arylquinazolin-4-amines as potent and selective inhibitors of cdc2-like kinases (Clk). |
| AID594077 | Inhibition of Clk2 kinase using ATP as substrate by 33P radiolabeled kinase assay | 2011 | Bioorganic & medicinal chemistry letters, May-15, Volume: 21, Issue:10 | Potent and selective small molecule inhibitors of specific isoforms of Cdc2-like kinases (Clk) and dual specificity tyrosine-phosphorylation-regulated kinases (Dyrk). |
| AID445568 | Binding affinity to Clk2 assessed as dissociation constant | 2009 | Bioorganic & medicinal chemistry letters, Dec-01, Volume: 19, Issue:23 | Evaluation of substituted 6-arylquinazolin-4-amines as potent and selective inhibitors of cdc2-like kinases (Clk). |
| AID594048 | Inhibition of Dyrk1A kinase | 2011 | Bioorganic & medicinal chemistry letters, May-15, Volume: 21, Issue:10 | Potent and selective small molecule inhibitors of specific isoforms of Cdc2-like kinases (Clk) and dual specificity tyrosine-phosphorylation-regulated kinases (Dyrk). |
| AID445570 | Binding affinity to Clk4 assessed as dissociation constant | 2009 | Bioorganic & medicinal chemistry letters, Dec-01, Volume: 19, Issue:23 | Evaluation of substituted 6-arylquinazolin-4-amines as potent and selective inhibitors of cdc2-like kinases (Clk). |
| AID445580 | Binding affinity to EGFR assessed as dissociation constant | 2009 | Bioorganic & medicinal chemistry letters, Dec-01, Volume: 19, Issue:23 | Evaluation of substituted 6-arylquinazolin-4-amines as potent and selective inhibitors of cdc2-like kinases (Clk). |
| AID594050 | Inhibition of Clk4 kinase using ATP as substrate by 33P radiolabeled kinase assay | 2011 | Bioorganic & medicinal chemistry letters, May-15, Volume: 21, Issue:10 | Potent and selective small molecule inhibitors of specific isoforms of Cdc2-like kinases (Clk) and dual specificity tyrosine-phosphorylation-regulated kinases (Dyrk). |
| AID445566 | Inhibition of Clk4 | 2009 | Bioorganic & medicinal chemistry letters, Dec-01, Volume: 19, Issue:23 | Evaluation of substituted 6-arylquinazolin-4-amines as potent and selective inhibitors of cdc2-like kinases (Clk). |
| AID588497 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set | 2010 | Current protocols in cytometry, Oct, Volume: Chapter 13 | Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening. |
| AID588497 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set | 2006 | Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5 | Microsphere-based protease assays and screening application for lethal factor and factor Xa. |
| AID588497 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set | 2010 | Assay and drug development technologies, Feb, Volume: 8, Issue:1 | High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors. |
| AID588499 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set | 2010 | Current protocols in cytometry, Oct, Volume: Chapter 13 | Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening. |
| AID588499 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set | 2006 | Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5 | Microsphere-based protease assays and screening application for lethal factor and factor Xa. |
| AID588499 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set | 2010 | Assay and drug development technologies, Feb, Volume: 8, Issue:1 | High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors. |
| AID1745845 | Primary qHTS for Inhibitors of ATXN expression | |||
| AID588501 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set | 2010 | Current protocols in cytometry, Oct, Volume: Chapter 13 | Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening. |
| AID588501 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set | 2006 | Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5 | Microsphere-based protease assays and screening application for lethal factor and factor Xa. |
| AID588501 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set | 2010 | Assay and drug development technologies, Feb, Volume: 8, Issue:1 | High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors. |
| AID651635 | Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression | |||
| 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. |
| [information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||||
Research
Studies (10)
| Timeframe | Studies, This Drug (%) | All Drugs % |
|---|---|---|
| pre-1990 | 0 (0.00) | 18.7374 |
| 1990's | 0 (0.00) | 18.2507 |
| 2000's | 2 (20.00) | 29.6817 |
| 2010's | 6 (60.00) | 24.3611 |
| 2020's | 2 (20.00) | 2.80 |
| [information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||
Market Indicators
Research Demand Index: 24.59
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 (24.59) All Compounds (24.57) |
Study Types
| 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 | 10 (100.00%) | 84.16% |
| [information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||