Detailed information for compound 335197
Basic information
Technical information
- TDR Targets ID: 335197
- Name: 6-butyl-7-thiophen-2-ylpyrido[2,3-d]pyrimidin -4-amine
- MW: 284.379 | Formula: C15H16N4S
-
H donors: 1
H acceptors: 3
LogP: 3.71
Rotable bonds: 4
Rule of 5 violations (Lipinski): 1 - SMILES: CCCCc1cc2c(N)ncnc2nc1c1cccs1
- InChi: 1S/C15H16N4S/c1-2-3-5-10-8-11-14(16)17-9-18-15(11)19-13(10)12-6-4-7-20-12/h4,6-9H,2-3,5H2,1H3,(H2,16,17,18,19)
- InChiKey: OFGTXURSNNZGJA-UHFFFAOYSA-N
Network
Hover on a compound node to display the structore
Synonyms
- 6-butyl-7-(2-thienyl)pyrido[2,3-d]pyrimidin-4-amine
- 6-butyl-7-(2-thienyl)-4-pyrido[2,3-d]pyrimidinamine
- 6-butyl-7-thiophen-2-yl-pyrido[2,3-d]pyrimidin-4-amine
- [6-butyl-7-(2-thienyl)pyrido[2,3-d]pyrimidin-4-yl]amine
- 6-butyl-7-thiophen-2-ylpyrido[3,2-e]pyrimidin-4-amine
- 6-butyl-7-(2-thienyl)pyrido[3,2-e]pyrimidin-4-amine
- 6-butyl-7-(2-thienyl)-4-pyrido[3,2-e]pyrimidinamine
- [6-butyl-7-(2-thienyl)pyrido[3,2-e]pyrimidin-4-yl]amine
- 6-butyl-7-thiophen-2-yl-pyrido[3,2-e]pyrimidin-4-amine
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | adenosine kinase | Starlite/ChEMBL | References |
Predicted pathogen targets for this compound
By orthology
By sequence similarity to non orthologous known druggable targets
| Species | Potential target | Known druggable target | Length | Alignment span | Identity |
|---|---|---|---|---|---|
| Trypanosoma cruzi | adenosine kinase, putative | adenosine kinase | 345 aa | 337 aa | 35.6 % |
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Schistosoma mansoni | glycogen synthase kinase 3-related (gsk3) (cmgc group III) | 0.0101 | 0.9589 | 0.9589 |
| Echinococcus granulosus | protein kinase shaggy | 0.0101 | 0.9589 | 0.9589 |
| Mycobacterium tuberculosis | Ribokinase RbsK | 0.0012 | 0 | 0.5 |
| Mycobacterium ulcerans | carbohydrate kinase CbhK | 0.0012 | 0 | 0.5 |
| Echinococcus multilocularis | protein kinase shaggy | 0.0101 | 0.9589 | 0.9589 |
| Toxoplasma gondii | cell-cycle-associated protein kinase GSK, putative | 0.0101 | 0.9589 | 0.9589 |
| Leishmania major | glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270 | 0.0101 | 0.9589 | 0.9589 |
| Plasmodium falciparum | glycogen synthase kinase 3 | 0.0101 | 0.9589 | 0.5 |
| Giardia lamblia | Kinase, CMGC GSK | 0.0101 | 0.9589 | 1 |
| Loa Loa (eye worm) | CMGC/GSK protein kinase | 0.0101 | 0.9589 | 0.9589 |
| Trypanosoma cruzi | adenosine kinase, putative | 0.0105 | 1 | 1 |
| Mycobacterium ulcerans | fructokinase, PfkB | 0.0012 | 0 | 0.5 |
| Trypanosoma brucei | protein kinase, putative | 0.0101 | 0.9589 | 0.9589 |
| Brugia malayi | intracellular kinase | 0.0101 | 0.9589 | 0.9589 |
| Loa Loa (eye worm) | CMGC/GSK protein kinase | 0.0101 | 0.9589 | 0.9589 |
| Trypanosoma brucei | adenosine kinase, putative | 0.0105 | 1 | 1 |
| Trypanosoma brucei | adenosine kinase, putative | 0.0105 | 1 | 1 |
| Mycobacterium tuberculosis | Adenosine kinase | 0.0012 | 0 | 0.5 |
| Onchocerca volvulus | 0.0101 | 0.9589 | 1 | |
| Giardia lamblia | Kinase, CMGC GSK | 0.0101 | 0.9589 | 1 |
| Schistosoma mansoni | adenosine kinase | 0.0105 | 1 | 1 |
| Plasmodium vivax | glycogen synthase kinase 3, putative | 0.0101 | 0.9589 | 0.5 |
| Echinococcus granulosus | adenosine kinase | 0.0105 | 1 | 1 |
| Echinococcus multilocularis | adenosine kinase | 0.0105 | 1 | 1 |
| Echinococcus granulosus | glycogen synthase kinase 3 beta | 0.0101 | 0.9589 | 0.9589 |
| Entamoeba histolytica | protein kinase domain containing protein | 0.0101 | 0.9589 | 1 |
| Echinococcus multilocularis | glycogen synthase kinase 3 beta | 0.0101 | 0.9589 | 0.9589 |
| Schistosoma mansoni | adenosine kinase | 0.0105 | 1 | 1 |
| Entamoeba histolytica | protein kinase domain containing protein | 0.0101 | 0.9589 | 1 |
| Trypanosoma cruzi | adenosine kinase, putative | 0.0105 | 1 | 1 |
| Trypanosoma cruzi | glycogen synthase kinase 3, putative | 0.0101 | 0.9589 | 0.9589 |
| Toxoplasma gondii | kinase, pfkB family protein | 0.0105 | 1 | 1 |
| Mycobacterium leprae | Probable adenosine kinase adk | 0.0012 | 0 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0105 | 1 | 1 |
| Onchocerca volvulus | 0.0093 | 0.8714 | 0.9088 | |
| Trichomonas vaginalis | CMGC family protein kinase | 0.0101 | 0.9589 | 1 |
| Mycobacterium tuberculosis | 6-phosphofructokinase PfkB (phosphohexokinase) (phosphofructokinase) | 0.0012 | 0 | 0.5 |
| Trichomonas vaginalis | CMGC family protein kinase | 0.0101 | 0.9589 | 1 |
| Leishmania major | adenosine kinase, putative | 0.0105 | 1 | 1 |
| Entamoeba histolytica | protein kinase, putative | 0.0101 | 0.9589 | 1 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| IC50 (binding) | = 11 nM | Inhibitory concentration against Adenosine Kinase (enzyme) | ChEMBL. | 15911258 |
| IC50 (binding) | = 11 nM | Inhibitory concentration against Adenosine Kinase (enzyme) | ChEMBL. | 15911258 |
| IC50 (binding) | = 767 nM | Inhibitory concentration against Adenosine Kinase (intact cells) | ChEMBL. | 15911258 |
| IC50 (binding) | = 767 nM | Inhibitory concentration against Adenosine Kinase (intact cells) | ChEMBL. | 15911258 |
Phenotypes
Whole-cell/tissue/organism interactions
We have no records of whole-cell/tissue assays done with this compound
What does this mean?
Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.
Annotated phenotypes:
We have no manually annotated phenotypes for this drug.
What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by
drugs, or by genetic manipulation of cells (e.g. gene knockouts or
knockdowns) is manually curated from the literature. These
descriptions help to describe the potential of the target for drug
development. If no information is available for this gene or if the
information is incomplete, this may mean that i) the papers
containing this information either appeared after the curation
effort for this organism was carried out or they were inadvertently
missed by curators; or that ii) the curation effort for this
organism has not yet started.
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.
External resources for this compound
- ChEMBL: CHEMBL193253
- PubChem: 9900478
Bibliographic References
1 literature reference was collected for this gene.
If you have references for this compound, please enter them in a user comment (below) or Contact us.