CK-0944636: structure in first source [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]
| ID Source | ID |
|---|---|
| PubMed CID | 588963 |
| CHEMBL ID | 1234574 |
| SCHEMBL ID | 3612821 |
| MeSH ID | M0539343 |
| Synonym |
|---|
| CHEMBL1234574 |
| OPREA1_603109 |
| N23 , |
| n-[2-(2-methyl-1h-indol-3-yl)ethyl]thiophene-2-carboxamide |
| DB08235 |
| SCHEMBL3612821 |
| n-[2-(2-methylindol-3-yl)ethyl]-2-thienylcarboxamide |
| ck-636 |
| S7497 , |
| 442632-72-6 |
| ck-0944636 |
| HY-15892 |
| 3DXK |
| ck 636 |
| AKOS024281090 |
| n-[2-(2-methyl-1h-indol-3-yl)ethyl]-2-thiophenecarboxamide # |
| ACAKNPKRLPMONU-UHFFFAOYSA-N |
| thiophene-2-carboxylic acid [2-(2-methyl-1h-indol-3-yl)-ethyl]-amide |
| n-(2-(2-methyl-1h-indol-3-yl)ethyl)thiophene-2-carboxamide |
| AC-33046 |
| ck636 |
| EX-A359 |
| sr-01000536485 |
| SR-01000536485-1 |
| HMS3653J09 |
| mfcd03036245 |
| NCGC00386319-04 |
| SW220078-1 |
| nsc-821560 |
| nsc821560 |
| STL575917 |
| Q27097458 |
| AS-16966 |
| BCP09080 |
| SB19452 |
| CCG-267311 |
| 82XC8RSD8V , |
| n-(2-(2-methylindol-3-yl)ethyl)-2-thienylcarboxamide |
| 2-thiophenecarboxamide, n-(2-(2-methyl-1h-indol-3-yl)ethyl)- |
| n-[2-(2-methyl-1h-indol-3-yl)ethyl]-2-thiophenecarboxamide |
| unii-82xc8rsd8v |
| n~2~-[2-(2-methyl-1h-indol-3-yl)ethyl]-2-thiophenecarboxamide |
| 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 | 11.9877 | 0.0123 | 7.9835 | 43.2770 | AID1645841 |
| G | Vesicular stomatitis virus | Potency | 37.9083 | 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 | 37.9083 | 0.0033 | 9.1582 | 39.8107 | AID1645842 |
| HLA class I histocompatibility antigen, B alpha chain | Homo sapiens (human) | Potency | 37.9083 | 0.0123 | 8.9648 | 39.8107 | AID1645842 |
| Inositol hexakisphosphate kinase 1 | Homo sapiens (human) | Potency | 37.9083 | 0.0123 | 8.9648 | 39.8107 | AID1645842 |
| cytochrome P450 2C9, partial | Homo sapiens (human) | Potency | 37.9083 | 0.0123 | 8.9648 | 39.8107 | AID1645842 |
| [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) |
|---|---|---|---|---|---|---|---|
| Chain A, Actin-related protein 3 | Bos taurus (cattle) | Kd | 0.4700 | 0.4700 | 0.4700 | 0.4700 | AID977611 |
| Chain B, Actin-related protein 2 | Bos taurus (cattle) | Kd | 0.4700 | 0.4700 | 0.4700 | 0.4700 | AID977611 |
| Chain A, Actin-related protein 3 | Bos taurus (cattle) | Kd | 0.4700 | 0.4700 | 0.4700 | 0.4700 | AID977611 |
| [prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] | |||||||
| Assay ID | Title | Year | Journal | Article |
|---|---|---|---|---|
| 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. |
| 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. |
| 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. |
| 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. |
| AID977611 | Experimentally measured binding affinity data (Kd) for protein-ligand complexes derived from PDB | 2009 | Nature, Aug-20, Volume: 460, Issue:7258 | Characterization of two classes of small molecule inhibitors of Arp2/3 complex. |
| [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 (12.50) | 29.6817 |
| 2010's | 5 (62.50) | 24.3611 |
| 2020's | 2 (25.00) | 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 weak demand-to-supply ratio for research on this compound.
| This Compound (13.24) All Compounds (24.57) |
| 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 | 8 (100.00%) | 84.16% |
| [information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||