WAY-316606 : A sulfonamide resulting from the formal condensation of the sulfonic acid group of 5-(phenylsulfonyl)-2-(trifluoromethyl)benzenesulfonic acid with the primary amino group of piperidin-4-amine. An inhibitor of secreted Frizzled-Related Protein-1 (sFRP-1). [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 | 16727102 |
| CHEMBL ID | 495575 |
| CHEBI ID | 140700 |
| SCHEMBL ID | 4618018 |
| Synonym |
|---|
| 915759-45-4 |
| way 316606 |
| 5-(phenylsulfonyl)-n-4-piperidinyl-2-(trifluoromethyl)benzene sulfonamide |
| CHEBI:140700 |
| way-316606 |
| 5-(phenylsulfonyl)-n-(piperidin-4-yl)-2-(trifluoromethyl)benzenesulfonamide |
| 5-(phenylsulfonyl)-n-piperidin-4-yl-2-(trifluoromethyl)benzenesulfonamide |
| bdbm50265467 |
| CHEMBL495575 , |
| HY-10858 |
| CS-0996 , |
| S5815 |
| SCHEMBL4618018 |
| 5-(benzenesulfonyl)-n-piperidin-4-yl-2-(trifluoromethyl)benzenesulfonamide |
| 5-(benzenesulfonyl)-n-(piperidin-4-yl)-2-(trifluoromethyl)benzene-1-sulfonamide |
| DTXSID90587395 |
| AKOS030526992 |
| NCGC00378893-04 |
| 915759-45-4 (free base) |
| benzenesulfonamide,5-(phenylsulfonyl)-n-4-piperidinyl-2-(trifluoromethyl)- |
| BS-17835 |
| gtpl9945 |
| compound 1 [pmid: 19072540] |
| HMS3749G03 |
| EX-A1883 |
| way316606 |
| A915415 |
| D83680 |
| benzenesulfonamide, 5-(phenylsulfonyl)-n-4-piperidinyl-2-(trifluoromethyl)- |
| AC-36231 |
| 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 |
| Role | Description |
|---|---|
| secreted frizzled-related protein 1 inhibitor | Any inhibitor of secreted frizzled-related protein 1 (SFRP1). The level of SFRP1 affects osteoblast apoptosis and proliferation, so SFRP1 inhibitors have the potential to be used for the treatment of osteoporosis or other bone related disorders. |
| [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 |
|---|---|
| sulfone | An organosulfur compound having the structure RS(=O)2R (R =/= H). |
| sulfonamide | An amide of a sulfonic acid RS(=O)2NR'2. |
| (trifluoromethyl)benzenes | An organofluorine compound that is (trifluoromethyl)benzene and derivatives arising from substitution of one or more of the phenyl hydrogens. |
| piperidines | |
| secondary amino compound | A compound formally derived from ammonia by replacing two hydrogen atoms by organyl groups. |
| [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) |
|---|---|---|---|---|---|---|---|
| cytochrome P450 family 3 subfamily A polypeptide 4 | Homo sapiens (human) | Potency | 2.3919 | 0.0123 | 7.9835 | 43.2770 | AID1645841 |
| [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) |
|---|---|---|---|---|---|---|---|
| Secreted frizzled-related protein 1 | Homo sapiens (human) | IC50 (µMol) | 0.5000 | 0.5000 | 0.5000 | 0.5000 | AID412784 |
| [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) |
|---|---|---|---|---|---|---|---|
| Proto-oncogene Wnt-3 | Homo sapiens (human) | EC50 (µMol) | 0.6500 | 0.6500 | 2.8250 | 5.0000 | AID412786 |
| [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) |
|---|---|---|---|---|---|---|---|
| Proto-oncogene Wnt-3 | Homo sapiens (human) | Activity | 0.7500 | 0.7500 | 0.7500 | 0.7500 | AID412787 |
| [prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] | |||||||
| Process | via Protein(s) | Taxonomy |
|---|---|---|
| frizzled binding | Proto-oncogene Wnt-3 | Homo sapiens (human) |
| protein binding | Proto-oncogene Wnt-3 | Homo sapiens (human) |
| protein domain specific binding | Proto-oncogene Wnt-3 | Homo sapiens (human) |
| receptor ligand activity | Proto-oncogene Wnt-3 | Homo sapiens (human) |
| cytokine activity | Proto-oncogene Wnt-3 | Homo sapiens (human) |
| cysteine-type endopeptidase activity | Secreted frizzled-related protein 1 | Homo sapiens (human) |
| frizzled binding | Secreted frizzled-related protein 1 | Homo sapiens (human) |
| protein binding | Secreted frizzled-related protein 1 | Homo sapiens (human) |
| heparin binding | Secreted frizzled-related protein 1 | Homo sapiens (human) |
| Wnt-protein binding | Secreted frizzled-related protein 1 | Homo sapiens (human) |
| identical protein binding | Secreted frizzled-related protein 1 | Homo sapiens (human) |
| [Information is prepared from geneontology information from the June-17-2024 release] | ||
| Assay ID | Title | Year | Journal | Article |
|---|---|---|---|---|
| AID412795 | Inhibition of CYP2C9 at 3 uM | 2009 | Journal of medicinal chemistry, Jan-08, Volume: 52, Issue:1 | Modulation of Wnt signaling through inhibition of secreted frizzled-related protein I (sFRP-1) with N-substituted piperidinyl diphenylsulfonyl sulfonamides. |
| AID412786 | Antagonist activity at human WNT3 expressed in human U2OS cells assessed as Wnt signaling after 16 to 18 hrs by luciferase reporter gene assay | 2009 | Journal of medicinal chemistry, Jan-08, Volume: 52, Issue:1 | Modulation of Wnt signaling through inhibition of secreted frizzled-related protein I (sFRP-1) with N-substituted piperidinyl diphenylsulfonyl sulfonamides. |
| AID412788 | Antagonist activity at human WNT3 expressed in human U2OS cells assessed as 4 fold increase in Wnt signaling after 16 to 18 hrs by luciferase reporter gene assay | 2009 | Journal of medicinal chemistry, Jan-08, Volume: 52, Issue:1 | Modulation of Wnt signaling through inhibition of secreted frizzled-related protein I (sFRP-1) with N-substituted piperidinyl diphenylsulfonyl sulfonamides. |
| AID412789 | Metabolic stability in rat liver microsomes assessed as half life in presence of NADPH | 2009 | Journal of medicinal chemistry, Jan-08, Volume: 52, Issue:1 | Modulation of Wnt signaling through inhibition of secreted frizzled-related protein I (sFRP-1) with N-substituted piperidinyl diphenylsulfonyl sulfonamides. |
| AID412790 | Metabolic stability in human liver microsomes assessed as half life in presence of NADPH | 2009 | Journal of medicinal chemistry, Jan-08, Volume: 52, Issue:1 | Modulation of Wnt signaling through inhibition of secreted frizzled-related protein I (sFRP-1) with N-substituted piperidinyl diphenylsulfonyl sulfonamides. |
| AID482491 | Induction of osteogenesis in mouse calvarial cells assessed as increase in total bone area at 10 nM | 2010 | Journal of medicinal chemistry, Jun-10, Volume: 53, Issue:11 | Emerging targets in osteoporosis disease modification. |
| AID412794 | Inhibition of CYP2D6 at 3 uM | 2009 | Journal of medicinal chemistry, Jan-08, Volume: 52, Issue:1 | Modulation of Wnt signaling through inhibition of secreted frizzled-related protein I (sFRP-1) with N-substituted piperidinyl diphenylsulfonyl sulfonamides. |
| AID412787 | Antagonist activity at human WNT3 expressed in human U2OS cells assessed as 2 fold increase in Wnt signaling after 16 to 18 hrs by luciferase reporter gene assay | 2009 | Journal of medicinal chemistry, Jan-08, Volume: 52, Issue:1 | Modulation of Wnt signaling through inhibition of secreted frizzled-related protein I (sFRP-1) with N-substituted piperidinyl diphenylsulfonyl sulfonamides. |
| AID412785 | Aqueous solubility of the compound | 2009 | Journal of medicinal chemistry, Jan-08, Volume: 52, Issue:1 | Modulation of Wnt signaling through inhibition of secreted frizzled-related protein I (sFRP-1) with N-substituted piperidinyl diphenylsulfonyl sulfonamides. |
| AID412784 | Binding affinity to human purified SARP2 by fluorescent polarization assay | 2009 | Journal of medicinal chemistry, Jan-08, Volume: 52, Issue:1 | Modulation of Wnt signaling through inhibition of secreted frizzled-related protein I (sFRP-1) with N-substituted piperidinyl diphenylsulfonyl sulfonamides. |
| AID412793 | Inhibition of CYP3A4 at 3 uM | 2009 | Journal of medicinal chemistry, Jan-08, Volume: 52, Issue:1 | Modulation of Wnt signaling through inhibition of secreted frizzled-related protein I (sFRP-1) with N-substituted piperidinyl diphenylsulfonyl sulfonamides. |
| 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. |
| 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. |
| [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 | 1 (20.00) | 29.6817 |
| 2010's | 2 (40.00) | 24.3611 |
| 2020's | 2 (40.00) | 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 (34.90) All Compounds (24.57) |
| Publication Type | This drug (%) | All Drugs (%) |
|---|---|---|
| Trials | 0 (0.00%) | 5.53% |
| Reviews | 1 (20.00%) | 6.00% |
| Case Studies | 0 (0.00%) | 4.05% |
| Observational | 0 (0.00%) | 0.25% |
| Other | 4 (80.00%) | 84.16% |
| [information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||