AP23464: a potent adenosine 5'-triphosphate (ATP)-based inhibitor of Src and Abl kinases [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]
| ID Source | ID |
|---|---|
| PubMed CID | 9934643 |
| CHEMBL ID | 1089405 |
| SCHEMBL ID | 13576390 |
| MeSH ID | M0475662 |
| Synonym |
|---|
| 3-[2-(2-cyclopentyl-6-{[4-(dimethylphosphoryl)phenyl]amino}-9h-purin-9-yl)ethyl]phenol |
| 2BDJ |
| ap-23464 |
| 2,6,9-trisubstitute purine, 6 (ap23464) |
| bdbm50314074 |
| 3-(2-(2-cyclopentyl-6-(4-(dimethylphosphoryl)phenylamino)-9h-purin-9-yl)ethyl)phenol |
| CHEMBL1089405 , |
| 845895-51-4 |
| SCHEMBL13576390 |
| 3-[2-[2-cyclopentyl-6-(4-dimethylphosphorylanilino)purin-9-yl]ethyl]phenol |
| ap23464 |
| 3-[2-[2-cyclopentyl-6-[[4-(dimethylphosphinyl)phenyl]amino]-9h-purin-9-yl]ethyl]phenol |
| BCP22041 |
| ap23464; ap 23464 |
| (4-((2-cyclopentyl-9-(3-hydroxyphenethyl)-9h-purin-6-yl)amino)phenyl)dimethylphosphine oxide |
| Q27461069 |
| c26h30n5o2p |
| ?3-[2-[2-cyclopentyl-6-(4-dimethylphosphorylanilino)purin-9-yl]ethyl]phenol |
| phenol, 3-[2-[2-cyclopentyl-6-[[4-(dimethylphosphinyl)phenyl]amino]-9h-purin-9-yl]ethyl]- |
| ap 23464 [who-dd] |
| ap-23464 [who-dd] |
| hej6qdu4pa , |
| phenol, 3-(2-(2-cyclopentyl-6-((4-(dimethylphosphinyl)phenyl)amino)-9h-purin-9-yl)ethyl)- |
| unii-hej6qdu4pa |
| 3-(2-(2-cyclopentyl-6-((4-(dimethylphosphinyl)phenyl)amino)-9h-purin-9-yl)ethyl)phenol |
| Protein | Taxonomy | Measurement | Average | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
|---|---|---|---|---|---|---|---|
| Chain A, Proto-oncogene tyrosine-protein kinase Src | Homo sapiens (human) | IC50 (µMol) | 0.0004 | 0.0004 | 0.0004 | 0.0004 | AID977608 |
| Chain A, Proto-oncogene tyrosine-protein kinase Src | Homo sapiens (human) | IC50 (µMol) | 0.0004 | 0.0004 | 0.0004 | 0.0004 | AID977608 |
| Proto-oncogene tyrosine-protein kinase Src | Homo sapiens (human) | IC50 (µMol) | 3.4838 | 0.0002 | 0.5335 | 10.0000 | AID1310845; AID1799564; AID476336; AID548089; AID664802 |
| Cyclin-dependent kinase 2 | Homo sapiens (human) | IC50 (µMol) | 13.9335 | 0.0004 | 1.0444 | 10.0000 | AID1799564; AID476335 |
| [prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] | |||||||
| Assay ID | Title | Year | Journal | Article |
|---|---|---|---|---|
| AID664802 | Inhibition of SRC | 2012 | ACS medicinal chemistry letters, Feb-09, Volume: 3, Issue:2 | Application of MM-GB/SA and WaterMap to SRC Kinase Inhibitor Potency Prediction. |
| AID476336 | Inhibition of SRC | 2010 | Journal of medicinal chemistry, Apr-08, Volume: 53, Issue:7 | Through the "gatekeeper door": exploiting the active kinase conformation. |
| AID476335 | Inhibition of CDK2 | 2010 | Journal of medicinal chemistry, Apr-08, Volume: 53, Issue:7 | Through the "gatekeeper door": exploiting the active kinase conformation. |
| AID548089 | Inhibition of Src | 2010 | European journal of medicinal chemistry, Dec, Volume: 45, Issue:12 | Synthesis, biological evaluation and docking studies of 4-amino-tetrahydroquinazolino[3,2-e]purine derivatives. |
| AID1310845 | Inhibition of 6x-His-tagged human Src kinase domain (T250 to L536 residues) expressed in Sf9 cells incubated for 2 hrs in presence of biotinylated cdc2 peptide substrate by homogenous TR-FRET assay | 2016 | Journal of medicinal chemistry, 05-26, Volume: 59, Issue:10 | Discovery of Brigatinib (AP26113), a Phosphine Oxide-Containing, Potent, Orally Active Inhibitor of Anaplastic Lymphoma Kinase. |
| AID977608 | Experimentally measured binding affinity data (IC50) for protein-ligand complexes derived from PDB | 2006 | Chemical biology & drug design, Jan, Volume: 67, Issue:1 | Structural basis of Src tyrosine kinase inhibition with a new class of potent and selective trisubstituted purine-based compounds. |
| AID1811 | Experimentally measured binding affinity data derived from PDB | 2006 | Chemical biology & drug design, Jan, Volume: 67, Issue:1 | Structural basis of Src tyrosine kinase inhibition with a new class of potent and selective trisubstituted purine-based compounds. |
| AID1799564 | Kinase Inhibition Assay from Article 10.1111/j.1747-0285.2005.00316.x: \\Structural basis of Src tyrosine kinase inhibition with a new class of potent and selective trisubstituted purine-based compounds.\\ | 2006 | Chemical biology & drug design, Jan, Volume: 67, Issue:1 | Structural basis of Src tyrosine kinase inhibition with a new class of potent and selective trisubstituted purine-based compounds. |
| [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 | 5 (55.56) | 29.6817 |
| 2010's | 4 (44.44) | 24.3611 |
| 2020's | 0 (0.00) | 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 (12.00) All Compounds (24.57) |
| Publication Type | This drug (%) | All Drugs (%) |
|---|---|---|
| Trials | 0 (0.00%) | 5.53% |
| Reviews | 2 (22.22%) | 6.00% |
| Case Studies | 0 (0.00%) | 4.05% |
| Observational | 0 (0.00%) | 0.25% |
| Other | 7 (77.78%) | 84.16% |
| [information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||