| ID Source | ID |
|---|---|
| PubMed CID | 11977938 |
| CHEMBL ID | 1951304 |
| SCHEMBL ID | 3132510 |
| MeSH ID | M0573881 |
| Synonym |
|---|
| bdbm50364607 |
| CHEMBL1951304 , |
| DWVJASHDNJMDNH-UHFFFAOYSA-N , |
| 1-({4-ethyl-5-[5-(4-phenoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-thienyl}methyl)azetidine-3-carboxylic acid |
| CS-2100 , |
| SCHEMBL3132510 |
| 913827-99-3 |
| 1-[[4-ethyl-5-[5-(4-phenoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-thienyl]methyl]-3-azetidinecarboxylic acid |
| cs 2100 |
| AKOS024458213 |
| NCGC00379155-01 |
| 1-[[4-ethyl-5-[5-(4-phenoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-thienyl]methyl]-3-azetidinecarboxylicacid |
| 1-[[4-ethyl-5-[5-(4-phenoxyphenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]azetidine-3-carboxylic acid |
| 1-[[4-ethyl-5-[5-(4-phenoxyphenyl)-1,2,4-oxadiazol-3-yl]- |
| 2-thienyl]methyl]-3-azetidinecarboxylic acid |
| CS-0028983 |
| HY-108493 |
| 1-[[4-ethyl-5-[5-(4-phenoxyphenyl)-1,2,4-oxadiazol-3-yl]- 2-thienyl]methyl]-3-azetidinecarboxylic acid |
| 1-({4-ethyl-5-[5-(4-phenoxyphenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl}methyl)azetidine-3-carboxylic acid |
| 1-((4-ETHYL-5-(5-(4-PHENOXYPHENYL)-1,2,4-OXADIAZOL-3-YL)THIOPHEN-2-YL)METHYL)AZETIDINE-3-CARBOXYLIC ACID , |
| Protein | Taxonomy | Measurement | Average (mM) | Bioassay(s) |
|---|---|---|---|---|
| cytochrome P450 family 3 subfamily A polypeptide 4 | Homo sapiens (human) | Potency | 18.5139 | AID1645841 |
| Protein | Taxonomy | Measurement | Average (mM) | Bioassay(s) |
|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 4 | Homo sapiens (human) | EC50 | 0.0580 | AID648607 |
| Sphingosine 1-phosphate receptor 1 | Homo sapiens (human) | EC50 | 0.0040 | AID645220; AID648581; AID660636 |
| Sphingosine 1-phosphate receptor 1 | Rattus norvegicus (Norway rat) | EC50 | 0.0015 | AID648579 |
| Sphingosine 1-phosphate receptor 3 | Homo sapiens (human) | EC50 | 20.0000 | AID645221; AID648582; AID660637 |
| Sphingosine 1-phosphate receptor 5 | Homo sapiens (human) | EC50 | 0.0170 | AID648608 |
| Assay ID | Title | Year | Journal | Article |
|---|---|---|---|---|
| AID1346986 | P-glycoprotein substrates identified in KB-3-1 adenocarcinoma cell line, qHTS therapeutic library screen | 2019 | Molecular pharmacology, 11, Volume: 96, Issue:5 ISSN: 1521-0111 | A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein. |
| AID1296008 | Cytotoxic Profiling of Annotated Libraries Using Quantitative High-Throughput Screening | 2020 | SLAS discovery : advancing life sciences R & D, 01, Volume: 25, Issue:1 ISSN: 2472-5560 | Cytotoxic Profiling of Annotated and Diverse Chemical Libraries Using Quantitative High-Throughput Screening. |
| 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 ISSN: 1091-6490 | 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 ISSN: 1091-6490 | Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors. |
| 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 ISSN: 1521-0111 | A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein. |
| AID660666 | Drug metabolism in po dosed monkey plasma assessed as formation of 4-phenoxy benzoic acid | 2012 | Bioorganic & medicinal chemistry letters, May-01, Volume: 22, Issue:9 ISSN: 1464-3405 | Synthesis and SAR of 1,3-thiazolyl thiophene and pyridine derivatives as potent, orally active and S1P₃-sparing S1P₁ agonists. |
| AID648581 | Agonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as induction of GTPgammaS binding | 2012 | European journal of medicinal chemistry, May, Volume: 51ISSN: 1768-3254 | Synthesis and evaluation of CS-2100, a potent, orally active and S1P(3)- sparing S1P(1) agonist. |
| AID648603 | Drug metabolism in po dosed rat plasma assessed as 4-PBA level | 2012 | European journal of medicinal chemistry, May, Volume: 51ISSN: 1768-3254 | Synthesis and evaluation of CS-2100, a potent, orally active and S1P(3)- sparing S1P(1) agonist. |
| AID648598 | AUC (0 to 72 hrs) in Lewis rat at 1 mg/kg, po | 2012 | European journal of medicinal chemistry, May, Volume: 51ISSN: 1768-3254 | Synthesis and evaluation of CS-2100, a potent, orally active and S1P(3)- sparing S1P(1) agonist. |
| AID648599 | Cmax in C57BL/6J mouse at 1 mg/kg, po | 2012 | European journal of medicinal chemistry, May, Volume: 51ISSN: 1768-3254 | Synthesis and evaluation of CS-2100, a potent, orally active and S1P(3)- sparing S1P(1) agonist. |
| AID660661 | Stability of the compound in presence of enterobacteria from monkey feces contents under anaerobic condition at 3 to 30 uM after 24 hrs | 2012 | Bioorganic & medicinal chemistry letters, May-01, Volume: 22, Issue:9 ISSN: 1464-3405 | Synthesis and SAR of 1,3-thiazolyl thiophene and pyridine derivatives as potent, orally active and S1P₃-sparing S1P₁ agonists. |
| AID648595 | Cmax in Lewis rat at 1 mg/kg, po | 2012 | European journal of medicinal chemistry, May, Volume: 51ISSN: 1768-3254 | Synthesis and evaluation of CS-2100, a potent, orally active and S1P(3)- sparing S1P(1) agonist. |
| AID648591 | Cmax in Lewis rat at 0.1 mg/kg, po | 2012 | European journal of medicinal chemistry, May, Volume: 51ISSN: 1768-3254 | Synthesis and evaluation of CS-2100, a potent, orally active and S1P(3)- sparing S1P(1) agonist. |
| AID660662 | Stability of the compound in presence of enterobacteria from rat cecal contents under anaerobic condition at 3 to 30 uM after 48 hrs | 2012 | Bioorganic & medicinal chemistry letters, May-01, Volume: 22, Issue:9 ISSN: 1464-3405 | Synthesis and SAR of 1,3-thiazolyl thiophene and pyridine derivatives as potent, orally active and S1P₃-sparing S1P₁ agonists. |
| AID648601 | Terminal half life in C57BL/6J mouse at 1 mg/kg, po | 2012 | European journal of medicinal chemistry, May, Volume: 51ISSN: 1768-3254 | Synthesis and evaluation of CS-2100, a potent, orally active and S1P(3)- sparing S1P(1) agonist. |
| AID648593 | Terminal half life in Lewis rat at 0.1 mg/kg, po | 2012 | European journal of medicinal chemistry, May, Volume: 51ISSN: 1768-3254 | Synthesis and evaluation of CS-2100, a potent, orally active and S1P(3)- sparing S1P(1) agonist. |
| AID660665 | Drug metabolism in po dosed rat plasma assessed as formation of 4-phenoxy benzoic acid | 2012 | Bioorganic & medicinal chemistry letters, May-01, Volume: 22, Issue:9 ISSN: 1464-3405 | Synthesis and SAR of 1,3-thiazolyl thiophene and pyridine derivatives as potent, orally active and S1P₃-sparing S1P₁ agonists. |
| AID660639 | Immunosuppressive activity in po dosed LEW rat transplanted with spleen cells of WKAH rat assessed as inhibition of enlargement of draining popliteal lymph node administered qd for 4 days | 2012 | Bioorganic & medicinal chemistry letters, May-01, Volume: 22, Issue:9 ISSN: 1464-3405 | Synthesis and SAR of 1,3-thiazolyl thiophene and pyridine derivatives as potent, orally active and S1P₃-sparing S1P₁ agonists. |
| AID648590 | Antimultiple sclerosis activity in C57BL/6J mouse assessed as reduction of experimental autoimmune encephalomyelitis score at 1 mg/kg, po qd for 23 days | 2012 | European journal of medicinal chemistry, May, Volume: 51ISSN: 1768-3254 | Synthesis and evaluation of CS-2100, a potent, orally active and S1P(3)- sparing S1P(1) agonist. |
| AID648589 | Antimultiple sclerosis activity in C57BL/6J mouse assessed as reduction of experimental autoimmune encephalomyelitis score at 0.3 mg/kg, po qd for 23 days | 2012 | European journal of medicinal chemistry, May, Volume: 51ISSN: 1768-3254 | Synthesis and evaluation of CS-2100, a potent, orally active and S1P(3)- sparing S1P(1) agonist. |
| AID648582 | Agonist activity at human S1P3 receptor expressed in CHO-K1 cells assessed as induction of GTPgammaS binding | 2012 | European journal of medicinal chemistry, May, Volume: 51ISSN: 1768-3254 | Synthesis and evaluation of CS-2100, a potent, orally active and S1P(3)- sparing S1P(1) agonist. |
| AID645222 | Selectivity ratio of EC50 for human S1P3 receptor to EC50 for human S1P1 receptor | 2012 | Bioorganic & medicinal chemistry letters, Feb-15, Volume: 22, Issue:4 ISSN: 1464-3405 | Discovery of CS-2100, a potent, orally active and S1P3-sparing S1P1 agonist. |
| AID648608 | Agonist activity at human S1P5 receptor | 2012 | European journal of medicinal chemistry, May, Volume: 51ISSN: 1768-3254 | Synthesis and evaluation of CS-2100, a potent, orally active and S1P(3)- sparing S1P(1) agonist. |
| AID660636 | Agonist activity at human S1P1 receptor by [S35]GTPgammaS binding assay | 2012 | Bioorganic & medicinal chemistry letters, May-01, Volume: 22, Issue:9 ISSN: 1464-3405 | Synthesis and SAR of 1,3-thiazolyl thiophene and pyridine derivatives as potent, orally active and S1P₃-sparing S1P₁ agonists. |
| AID648596 | Tmax in Lewis rat at 1 mg/kg, po | 2012 | European journal of medicinal chemistry, May, Volume: 51ISSN: 1768-3254 | Synthesis and evaluation of CS-2100, a potent, orally active and S1P(3)- sparing S1P(1) agonist. |
| AID648588 | Antiarthritic activity in po dosed Lewis rat assessed as reduction of adjuvant-induced right hind foot volume administered as qd for 18 days | 2012 | European journal of medicinal chemistry, May, Volume: 51ISSN: 1768-3254 | Synthesis and evaluation of CS-2100, a potent, orally active and S1P(3)- sparing S1P(1) agonist. |
| AID648580 | Agonist activity at rat S1P3 receptor expressed in CHO-K1 cells assessed as induction of GTPgammaS binding | 2012 | European journal of medicinal chemistry, May, Volume: 51ISSN: 1768-3254 | Synthesis and evaluation of CS-2100, a potent, orally active and S1P(3)- sparing S1P(1) agonist. |
| AID660663 | Stability of the compound in presence of enterobacteria from monkey feces contents under anaerobic condition at 3 to 30 uM after 48 hrs | 2012 | Bioorganic & medicinal chemistry letters, May-01, Volume: 22, Issue:9 ISSN: 1464-3405 | Synthesis and SAR of 1,3-thiazolyl thiophene and pyridine derivatives as potent, orally active and S1P₃-sparing S1P₁ agonists. |
| AID648592 | Tmax in Lewis rat at 0.1 mg/kg, po | 2012 | European journal of medicinal chemistry, May, Volume: 51ISSN: 1768-3254 | Synthesis and evaluation of CS-2100, a potent, orally active and S1P(3)- sparing S1P(1) agonist. |
| AID648583 | Selectivity ratio of EC50 for human S1P3 receptor to EC50 for human S1P1 receptor | 2012 | European journal of medicinal chemistry, May, Volume: 51ISSN: 1768-3254 | Synthesis and evaluation of CS-2100, a potent, orally active and S1P(3)- sparing S1P(1) agonist. |
| AID660660 | Stability of the compound in presence of enterobacteria from rat cecal contents under anaerobic condition at 3 to 30 uM after 24 hrs | 2012 | Bioorganic & medicinal chemistry letters, May-01, Volume: 22, Issue:9 ISSN: 1464-3405 | Synthesis and SAR of 1,3-thiazolyl thiophene and pyridine derivatives as potent, orally active and S1P₃-sparing S1P₁ agonists. |
| AID648602 | AUC (0 to 72 hrs) in C57BL/6J mouse at 1 mg/kg, po | 2012 | European journal of medicinal chemistry, May, Volume: 51ISSN: 1768-3254 | Synthesis and evaluation of CS-2100, a potent, orally active and S1P(3)- sparing S1P(1) agonist. |
| AID648579 | Agonist activity at rat S1P1 receptor expressed in CHO-K1 cells assessed as induction of GTPgammaS binding | 2012 | European journal of medicinal chemistry, May, Volume: 51ISSN: 1768-3254 | Synthesis and evaluation of CS-2100, a potent, orally active and S1P(3)- sparing S1P(1) agonist. |
| AID645223 | Immunosuppressive activity in po dosed LEW rat model assessed as inhibition of WKAH rat spleen cells-induced popliteal lymph node swelling administered qd for 4 days measured at day 4 by host versus graft reaction analysis | 2012 | Bioorganic & medicinal chemistry letters, Feb-15, Volume: 22, Issue:4 ISSN: 1464-3405 | Discovery of CS-2100, a potent, orally active and S1P3-sparing S1P1 agonist. |
| AID648604 | Drug metabolism in po dosed monkey plasma assessed as 4-PBA level | 2012 | European journal of medicinal chemistry, May, Volume: 51ISSN: 1768-3254 | Synthesis and evaluation of CS-2100, a potent, orally active and S1P(3)- sparing S1P(1) agonist. |
| AID648607 | Agonist activity at human S1P4 receptor | 2012 | European journal of medicinal chemistry, May, Volume: 51ISSN: 1768-3254 | Synthesis and evaluation of CS-2100, a potent, orally active and S1P(3)- sparing S1P(1) agonist. |
| AID648585 | Immunomodulatory activity in Lewis rat assessed as decrease in peripheral blood lymphocyte numbers at 0.1 mg/kg, po after 8 hrs relative to control | 2012 | European journal of medicinal chemistry, May, Volume: 51ISSN: 1768-3254 | Synthesis and evaluation of CS-2100, a potent, orally active and S1P(3)- sparing S1P(1) agonist. |
| AID648600 | Tmax in C57BL/6J mouse at 1 mg/kg, po | 2012 | European journal of medicinal chemistry, May, Volume: 51ISSN: 1768-3254 | Synthesis and evaluation of CS-2100, a potent, orally active and S1P(3)- sparing S1P(1) agonist. |
| AID648605 | Metabolic stability in liver microsomes assessed as 4-PBA level | 2012 | European journal of medicinal chemistry, May, Volume: 51ISSN: 1768-3254 | Synthesis and evaluation of CS-2100, a potent, orally active and S1P(3)- sparing S1P(1) agonist. |
| AID648587 | Immunomodulatory activity in Lewis rat assessed as decrease in peripheral blood lymphocyte numbers at 0.1 to 1 mg/kg, po after 24 to 48 hrs | 2012 | European journal of medicinal chemistry, May, Volume: 51ISSN: 1768-3254 | Synthesis and evaluation of CS-2100, a potent, orally active and S1P(3)- sparing S1P(1) agonist. |
| AID660637 | Agonist activity at human S1P3 receptor by [S35]GTPgammaS binding assay | 2012 | Bioorganic & medicinal chemistry letters, May-01, Volume: 22, Issue:9 ISSN: 1464-3405 | Synthesis and SAR of 1,3-thiazolyl thiophene and pyridine derivatives as potent, orally active and S1P₃-sparing S1P₁ agonists. |
| AID648606 | Metabolic stability in liver microsomes assessed as degradation of 1,2,4-oxadiazole ring | 2012 | European journal of medicinal chemistry, May, Volume: 51ISSN: 1768-3254 | Synthesis and evaluation of CS-2100, a potent, orally active and S1P(3)- sparing S1P(1) agonist. |
| AID645221 | Agonist activity at human S1P3 receptor assessed as stimulation of [35S]GTPgamma binding | 2012 | Bioorganic & medicinal chemistry letters, Feb-15, Volume: 22, Issue:4 ISSN: 1464-3405 | Discovery of CS-2100, a potent, orally active and S1P3-sparing S1P1 agonist. |
| AID648594 | AUC (0 to 72 hrs) in Lewis rat at 0.1 mg/kg, po | 2012 | European journal of medicinal chemistry, May, Volume: 51ISSN: 1768-3254 | Synthesis and evaluation of CS-2100, a potent, orally active and S1P(3)- sparing S1P(1) agonist. |
| AID648586 | Immunomodulatory activity in Lewis rat assessed as decrease in peripheral blood lymphocyte numbers at 1 mg/kg, po after 8 hrs relative to control | 2012 | European journal of medicinal chemistry, May, Volume: 51ISSN: 1768-3254 | Synthesis and evaluation of CS-2100, a potent, orally active and S1P(3)- sparing S1P(1) agonist. |
| AID645220 | Agonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma binding | 2012 | Bioorganic & medicinal chemistry letters, Feb-15, Volume: 22, Issue:4 ISSN: 1464-3405 | Discovery of CS-2100, a potent, orally active and S1P3-sparing S1P1 agonist. |
| AID648597 | Terminal half life in Lewis rat at 1 mg/kg, po | 2012 | European journal of medicinal chemistry, May, Volume: 51ISSN: 1768-3254 | Synthesis and evaluation of CS-2100, a potent, orally active and S1P(3)- sparing S1P(1) agonist. |
| 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 | 4 (66.67) | 24.3611 |
| 2020's | 2 (33.33) | 2.80 |
| 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 | 6 (100.00%) | 84.16% |
| Substance | Studies | Classes | Roles | First Year | Last Year | Average Age | Relationship Strength | Trials | pre-1990 | 1990's | 2000's | 2010's | post-2020 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 4-carboxybiphenyl ether | phenoxybenzoic acid | 2012 | 2012 | 12.0 | high | 0 | 0 | 0 | 0 | 1 | 0 | ||
| fty 720p | 2012 | 2012 | 12.0 | high | 0 | 0 | 0 | 0 | 1 | 0 |
| Substance | Studies | Classes | Roles | First Year | Last Year | Average Age | Relationship Strength | Trials | pre-1990 | 1990's | 2000's | 2010's | post-2020 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| thiophenes | mancude organic heteromonocyclic parent; monocyclic heteroarene; thiophenes; volatile organic compound | non-polar solvent | 2012 | 2012 | 12.0 | high | 0 | 0 | 0 | 0 | 2 | 0 | |
| oxadiazoles | 2012 | 2012 | 12.0 | high | 0 | 0 | 0 | 0 | 2 | 0 |
| Condition | Indicated | Studies | First Year | Last Year | Average Age | Relationship Strength | Trials | pre-1990 | 1990's | 2000's | 2010's | post-2020 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Congenital Zika Syndrome | 0 | 2020 | 2020 | 4.0 | high | 0 | 0 | 0 | 0 | 1 | 0 | |
| Disease Models, Animal | 0 | 2020 | 2020 | 4.0 | high | 0 | 0 | 0 | 0 | 1 | 0 | |
| Zika Virus Infection | 0 | 2020 | 2020 | 4.0 | high | 0 | 0 | 0 | 0 | 1 | 0 |
| Article | Year |
|---|---|
| A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein. Molecular pharmacology, , Volume: 96, Issue:5 | 2019 |