Page last updated: 2024-11-13
hg-9-91-01
Description
Research Excerpts
Clinical Trials
Roles
Classes
Pathways
Study Profile
Bioassays
Related Drugs
Related Conditions
Protein Interactions
Research Growth
Market Indicators
Description
HG-9-91-01: inhibits salt-inducible kinases; structure in first source [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]
HG-9-91-01 : A member of the class of phenylureas that is a potent inhibitor of salt-inducible kinase 2, a potential target protein for therapy in ovarian cancer. [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]
Cross-References
| ID Source | ID |
|---|---|
| PubMed CID | 78357808 |
| CHEMBL ID | 4553284 |
| CHEBI ID | 133818 |
| SCHEMBL ID | 15271960 |
| MeSH ID | M0579940 |
Synonyms (28)
| Synonym |
|---|
| CHEBI:133818 |
| hg-9-91-01 |
| n-(2,4-dimethoxyphenyl)-n'-(2,6-dimethylphenyl)-n-{6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl}urea |
| S8393 |
| gtpl8049 |
| 1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-1-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]urea |
| CS-1749 |
| HY-15776 , |
| SCHEMBL15271960 |
| bdbm192712 |
| hg-9-91-01 (1) |
| 1456858-58-4 |
| EX-A1279 |
| AKOS030526556 |
| F20815 |
| NCGC00378591-01 |
| 1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-1-(6-((4-(4-methylpiperazin-1-yl)phenyl)amino)pyrimidin-4-yl)urea |
| BCP25041 |
| sik inhibitor 1; hg 9-91-01; hg9-91-01; hg99101; hg-99101; hg 99101 |
| Q27077982 |
| 1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-1-(6-(4-(4-methylpiperazin-1-yl)phenylamino)pyrimidin-4-yl)urea |
| sik inhibitor 1 |
| A906442 |
| MS-30272 |
| CHEMBL4553284 |
| DTXSID401025699 |
| 1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-1-(6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)urea |
| AC-35525 |
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]
Roles (2)
| Role | Description |
|---|---|
| antineoplastic agent | A substance that inhibits or prevents the proliferation of neoplasms. |
| salt-inducible kinase 2 inhibitor | Any protein kinase inhibitor that interferes with the action of salt-inducible kinase 2. |
| [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] | |
Drug Classes (6)
| Class | Description |
|---|---|
| dimethoxybenzene | Any methoxybenzene that consists of a benzene skeleton substituted with two methoxy groups and its derivatives. |
| aminopyrimidine | A member of the class of pyrimidines that is pyrimidine substituted by at least one amino group and its derivatives. |
| N-arylpiperazine | |
| N-alkylpiperazine | |
| secondary amino compound | A compound formally derived from ammonia by replacing two hydrogen atoms by organyl groups. |
| phenylureas | Any member of the class of ureas in which at least one of the nitrogens of the urea moiety is substituted by a phenyl or substituted phenyl group. |
| [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 (11)
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 | 3.7908 | 0.0123 | 7.9835 | 43.2770 | AID1645841 |
| G | Vesicular stomatitis virus | Potency | 13.4504 | 0.0123 | 8.9648 | 39.8107 | AID1645842 |
| cytochrome P450 2D6 | Homo sapiens (human) | Potency | 23.9185 | 0.0010 | 8.3798 | 61.1304 | AID1645840 |
| Interferon beta | Homo sapiens (human) | Potency | 13.4504 | 0.0033 | 9.1582 | 39.8107 | AID1645842 |
| HLA class I histocompatibility antigen, B alpha chain | Homo sapiens (human) | Potency | 13.4504 | 0.0123 | 8.9648 | 39.8107 | AID1645842 |
| Inositol hexakisphosphate kinase 1 | Homo sapiens (human) | Potency | 13.4504 | 0.0123 | 8.9648 | 39.8107 | AID1645842 |
| cytochrome P450 2C9, partial | Homo sapiens (human) | Potency | 13.4504 | 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) |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase SIK1 | Homo sapiens (human) | IC50 (µMol) | 0.9200 | 0.0005 | 0.1771 | 0.9200 | AID1895085 |
| Serine/threonine-protein kinase SIK2 | Homo sapiens (human) | IC50 (µMol) | 148.5259 | 0.0003 | 1.2465 | 6.6000 | AID1801917; AID1895086; AID1895096; AID1895097 |
| Serine/threonine-protein kinase SIK3 | Homo sapiens (human) | IC50 (µMol) | 9.6000 | 0.0010 | 2.0134 | 9.6000 | AID1895087 |
| [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) |
|---|---|---|---|---|---|---|---|
| Interleukin-10 | Homo sapiens (human) | EC50 (µMol) | 0.2200 | 0.2200 | 0.2200 | 0.2200 | AID1801918 |
| [prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] | |||||||
Biological Processes (134)
Molecular Functions (29)
Ceullar Components (23)
Bioassays (20)
| Assay ID | Title | Year | Journal | Article |
|---|---|---|---|---|
| AID1345890 | Human salt inducible kinase 2 (QIK subfamily) | 2012 | Proceedings of the National Academy of Sciences of the United States of America, Oct-16, Volume: 109, Issue:42 | Phosphorylation of CRTC3 by the salt-inducible kinases controls the interconversion of classically activated and regulatory macrophages. |
| AID1345829 | Human salt inducible kinase 1 (QIK subfamily) | 2012 | Proceedings of the National Academy of Sciences of the United States of America, Oct-16, Volume: 109, Issue:42 | Phosphorylation of CRTC3 by the salt-inducible kinases controls the interconversion of classically activated and regulatory macrophages. |
| AID1345848 | Human SIK family kinase 3 (QIK subfamily) | 2012 | Proceedings of the National Academy of Sciences of the United States of America, Oct-16, Volume: 109, Issue:42 | Phosphorylation of CRTC3 by the salt-inducible kinases controls the interconversion of classically activated and regulatory macrophages. |
| 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. |
| 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. |
| 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. |
| AID1895086 | Inhibition of GST fused recombinant SIK2 (unknown origin) in human HEK293 cells assessed as effect on CRTC3 phosphorylation at Ser162 incubated for 1 hr in presence of ATP by autoradiography based immunoblotting analysis | 2021 | Journal of medicinal chemistry, 06-24, Volume: 64, Issue:12 | Structure-Based Design of Selective Salt-Inducible Kinase Inhibitors. |
| AID1895102 | Binding affinity to MST4 (unknown origin) assessed as change in melting temperature by thermal shift based DSF assay | 2021 | Journal of medicinal chemistry, 06-24, Volume: 64, Issue:12 | Structure-Based Design of Selective Salt-Inducible Kinase Inhibitors. |
| AID1895099 | Binding affinity to MST1 (unknown origin) assessed as change in melting temperature by thermal shift based DSF assay | 2021 | Journal of medicinal chemistry, 06-24, Volume: 64, Issue:12 | Structure-Based Design of Selective Salt-Inducible Kinase Inhibitors. |
| AID1895096 | Inhibition of SIK2 (unknown origin) assessed as enzyme remaining activity by scanMAX kinase assay | 2021 | Journal of medicinal chemistry, 06-24, Volume: 64, Issue:12 | Structure-Based Design of Selective Salt-Inducible Kinase Inhibitors. |
| AID1895097 | Inhibition of full length N-terminal nanoLuc-tagged human SIK2 expressed in HEK293 cells using NanoBRET NanoGlo substrate incubated for 2 hrs in presence of tracer K10 by NanoBRET assay | 2021 | Journal of medicinal chemistry, 06-24, Volume: 64, Issue:12 | Structure-Based Design of Selective Salt-Inducible Kinase Inhibitors. |
| AID1895085 | Inhibition of GST fused recombinant SIK1 (unknown origin) in human HEK293 cells assessed as effect on CRTC3 phosphorylation at Ser162 incubated for 1 hr in presence of ATP by autoradiography based immunoblotting analysis | 2021 | Journal of medicinal chemistry, 06-24, Volume: 64, Issue:12 | Structure-Based Design of Selective Salt-Inducible Kinase Inhibitors. |
| AID1895103 | Binding affinity to PAK1 (unknown origin) assessed as change in melting temperature by thermal shift based DSF assay | 2021 | Journal of medicinal chemistry, 06-24, Volume: 64, Issue:12 | Structure-Based Design of Selective Salt-Inducible Kinase Inhibitors. |
| AID1895101 | Binding affinity to MST3 (unknown origin) assessed as change in melting temperature by thermal shift based DSF assay | 2021 | Journal of medicinal chemistry, 06-24, Volume: 64, Issue:12 | Structure-Based Design of Selective Salt-Inducible Kinase Inhibitors. |
| AID1895087 | Inhibition of GST fused recombinant SIK3 (unknown origin) in human HEK293 cells assessed as effect on CRTC3 phosphorylation at Ser162 incubated for 1 hr in presence of ATP by autoradiography based immunoblotting analysis | 2021 | Journal of medicinal chemistry, 06-24, Volume: 64, Issue:12 | Structure-Based Design of Selective Salt-Inducible Kinase Inhibitors. |
| AID1895100 | Binding affinity to MST2 (unknown origin) assessed as change in melting temperature by thermal shift based DSF assay | 2021 | Journal of medicinal chemistry, 06-24, Volume: 64, Issue:12 | Structure-Based Design of Selective Salt-Inducible Kinase Inhibitors. |
| AID1801918 | AlphaLISA-based IL-10 Detection from Article 10.1021/acschembio.6b00217: \\Development of Chemical Probes for Investigation of Salt-Inducible Kinase Function in Vivo.\\ | 2016 | ACS chemical biology, 08-19, Volume: 11, Issue:8 | Development of Chemical Probes for Investigation of Salt-Inducible Kinase Function in Vivo. |
| AID1801917 | Caliper-based Mobility Shift Assay from Article 10.1021/acschembio.6b00217: \\Development of Chemical Probes for Investigation of Salt-Inducible Kinase Function in Vivo.\\ | 2016 | ACS chemical biology, 08-19, Volume: 11, Issue:8 | Development of Chemical Probes for Investigation of Salt-Inducible Kinase Function in Vivo. |
| [information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||||
Research
Studies (19)
| 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 | 11 (57.89) | 24.3611 |
| 2020's | 8 (42.11) | 2.80 |
| [information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||
Market Indicators
Research Demand Index: 23.30
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 (23.30) 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 | 19 (100.00%) | 84.16% |
| [information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||