| ID Source | ID |
|---|---|
| PubMed CID | 11502243 |
| CHEMBL ID | 513994 |
| SCHEMBL ID | 1604039 |
| MeSH ID | M0549064 |
| Synonym |
|---|
| bdbm50249180 |
| 5-((4-(6-chlorothieno[2,3-d]pyrimidin-4-ylamino)piperidin-1-yl)methyl)-2-fluorobenzonitrile |
| CHEMBL513994 , |
| prx-08066 |
| HY-15472 |
| CS-0991 |
| 82sk298ebu , |
| prx-08066 free base |
| benzonitrile, 5-((4-((6-chlorothieno(2,3-d)pyrimidin-4-yl)amino)-1-piperidinyl)methyl)-2-fluoro- |
| prx 08066 |
| 866206-54-4 |
| 5-((4-(6-chlorothieno(2,3-d)pyrimidine-4-ylamino)piperidin-1-yl)methyl)-2-fluorobenzonitrile |
| unii-82sk298ebu |
| SCHEMBL1604039 |
| 5-((4-(6-chlorothieno[2,3-d]pyrimidin-4-ylamino)piperidin-1-yl)methyl)-2-fluoro benzonitrile |
| IENZFHBNCRQMNP-UHFFFAOYSA-N |
| 5-[[4-[(6-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-1-piperidinyl]methyl]-2-fluorobenzonitrile |
| DTXSID60235710 |
| 5-((4-((6-chlorothieno[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)methyl)-2-fluorobenzonitrile |
| AKOS030526950 |
| ZB1197 |
| NCGC00386238-02 |
| FT-0753131 |
| prx08066 |
| BCP14768 |
| Q44793 |
| SB16508 |
| HMS3748I19 |
| C76824 |
| MS-26846 |
| 5-[[4-[(6-chlorothieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]methyl]-2-fluorobenzonitrile |
| Excerpt | Reference | Relevance |
|---|---|---|
| " To assess the potential of this therapeutic approach, we sought compounds possessing the following attributes: (a) potent and selective antagonism of the 5-HT(2B) receptor, (b) low impact of serum proteins on potency, and (c) desirable pharmacokinetic properties." | ( A new class of 5-HT2B antagonists possesses favorable potency, selectivity, and rat pharmacokinetic properties. Choi, Y; Cogan, D; Flegg, A; Kahrs, A; Loke, P; Meyn, O; Moss, N; Nagaraja, R; Napier, S; Parker, A; Ramsden, P; Sarko, C; Skow, D; Thomas Peterson, J; Tomlinson, J; Tye, H; Whitaker, M, 2009) | 0.35 |
| 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 |
| 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 | 0.6008 | 0.0123 | 7.9835 | 43.2770 | AID1645841 |
| cytochrome P450 2D6 | Homo sapiens (human) | Potency | 1.5092 | 0.0010 | 8.3798 | 61.1304 | AID1645840 |
| [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) |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2B | Homo sapiens (human) | IC50 (µMol) | 0.1368 | 0.0001 | 1.1873 | 8.9125 | AID351748; AID351749 |
| 5-hydroxytryptamine receptor 2B | Homo sapiens (human) | Ki | 0.0034 | 0.0003 | 0.7693 | 10.0000 | AID1545387 |
| [prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] | |||||||
| Process | via Protein(s) | Taxonomy |
|---|---|---|
| Gq/11-coupled serotonin receptor activity | 5-hydroxytryptamine receptor 2B | Homo sapiens (human) |
| G-protein alpha-subunit binding | 5-hydroxytryptamine receptor 2B | Homo sapiens (human) |
| G protein-coupled serotonin receptor activity | 5-hydroxytryptamine receptor 2B | Homo sapiens (human) |
| GTPase activator activity | 5-hydroxytryptamine receptor 2B | Homo sapiens (human) |
| protein binding | 5-hydroxytryptamine receptor 2B | Homo sapiens (human) |
| serotonin binding | 5-hydroxytryptamine receptor 2B | Homo sapiens (human) |
| neurotransmitter receptor activity | 5-hydroxytryptamine receptor 2B | Homo sapiens (human) |
| [Information is prepared from geneontology information from the June-17-2024 release] | ||
| Process | via Protein(s) | Taxonomy |
|---|---|---|
| nucleoplasm | 5-hydroxytryptamine receptor 2B | Homo sapiens (human) |
| cytoplasm | 5-hydroxytryptamine receptor 2B | Homo sapiens (human) |
| plasma membrane | 5-hydroxytryptamine receptor 2B | Homo sapiens (human) |
| synapse | 5-hydroxytryptamine receptor 2B | Homo sapiens (human) |
| G protein-coupled serotonin receptor complex | 5-hydroxytryptamine receptor 2B | Homo sapiens (human) |
| dendrite | 5-hydroxytryptamine receptor 2B | Homo sapiens (human) |
| plasma membrane | 5-hydroxytryptamine receptor 2B | Homo sapiens (human) |
| [Information is prepared from geneontology information from the June-17-2024 release] | ||
| Assay ID | Title | Year | Journal | Article |
|---|---|---|---|---|
| AID351742 | Cmax in Wistar rat 10 mg/kg, po | 2009 | Bioorganic & medicinal chemistry letters, Apr-15, Volume: 19, Issue:8 | A new class of 5-HT2B antagonists possesses favorable potency, selectivity, and rat pharmacokinetic properties. |
| AID351755 | Oral bioavailability in Wistar rat | 2009 | Bioorganic & medicinal chemistry letters, Apr-15, Volume: 19, Issue:8 | A new class of 5-HT2B antagonists possesses favorable potency, selectivity, and rat pharmacokinetic properties. |
| AID351753 | Selectivity for 5-HT2B receptor over 5-HT2C receptor | 2009 | Bioorganic & medicinal chemistry letters, Apr-15, Volume: 19, Issue:8 | A new class of 5-HT2B antagonists possesses favorable potency, selectivity, and rat pharmacokinetic properties. |
| AID351744 | Selectivity for 5-HT2B receptor over 5-HT2A receptor | 2009 | Bioorganic & medicinal chemistry letters, Apr-15, Volume: 19, Issue:8 | A new class of 5-HT2B antagonists possesses favorable potency, selectivity, and rat pharmacokinetic properties. |
| AID351756 | Hepatic blood flow in Wistar rat at 1 mg/kg, iv | 2009 | Bioorganic & medicinal chemistry letters, Apr-15, Volume: 19, Issue:8 | A new class of 5-HT2B antagonists possesses favorable potency, selectivity, and rat pharmacokinetic properties. |
| AID351748 | Antagonist activity at 5-HT2B receptor expressed in CHOK1 cells assessed as inhibition of serotonin-induced intracellular Ca2+ flux by aequorin luminescence assay | 2009 | Bioorganic & medicinal chemistry letters, Apr-15, Volume: 19, Issue:8 | A new class of 5-HT2B antagonists possesses favorable potency, selectivity, and rat pharmacokinetic properties. |
| AID351758 | AUC in Wistar rat at 10 mg/kg, po | 2009 | Bioorganic & medicinal chemistry letters, Apr-15, Volume: 19, Issue:8 | A new class of 5-HT2B antagonists possesses favorable potency, selectivity, and rat pharmacokinetic properties. |
| AID351749 | Antagonist activity at 5-HT2B receptor expressed in CHOK1 cells assessed as inhibition of serotonin-induced intracellular Ca2+ flux by aequorin luminescence assay in presence of 4% human serum albumin | 2009 | Bioorganic & medicinal chemistry letters, Apr-15, Volume: 19, Issue:8 | A new class of 5-HT2B antagonists possesses favorable potency, selectivity, and rat pharmacokinetic properties. |
| AID1545387 | Inhibition of 5-HT2B receptor (unknown origin) | 2019 | Bioorganic & medicinal chemistry, 04-01, Volume: 27, Issue:7 | Thieno[2,3-d]pyrimidine as a promising scaffold in medicinal chemistry: Recent advances. |
| AID351746 | Protein binding in plasma by dialysis method | 2009 | Bioorganic & medicinal chemistry letters, Apr-15, Volume: 19, Issue:8 | A new class of 5-HT2B antagonists possesses favorable potency, selectivity, and rat pharmacokinetic properties. |
| 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. |
| 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. |
| 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. |
| 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. |
| [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 (18.47) 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] | ||