Detailed information for compound 156579
Basic information
Technical information
- TDR Targets ID: 156579
- Name: 4-[[2-[3-(4,6-diamino-2,2-dimethyl-1,3,5-tria zin-1-yl)phenyl]acetyl]amino]benzenesulfonyl fluoride
- MW: 432.472 | Formula: C19H21FN6O3S
-
H donors: 3
H acceptors: 3
LogP: 0.91
Rotable bonds: 6
Rule of 5 violations (Lipinski): 1 - SMILES: O=C(Nc1ccc(cc1)S(=O)(=O)F)Cc1cccc(c1)N1C(=NC(=NC1(C)C)N)N
- InChi: 1S/C19H21FN6O3S/c1-19(2)25-17(21)24-18(22)26(19)14-5-3-4-12(10-14)11-16(27)23-13-6-8-15(9-7-13)30(20,28)29/h3-10H,11H2,1-2H3,(H,23,27)(H4,21,22,24,25)
- InChiKey: NJLWMYZHNVATEF-UHFFFAOYSA-N
Network
Hover on a compound node to display the structore
Synonyms
- 4-[[2-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-1-oxoethyl]amino]benzenesulfonyl fluoride
- 4-[2-[3-[4,6-bis(azanyl)-2,2-dimethyl-1,3,5-triazin-1-yl]phenyl]ethanoylamino]benzenesulfonyl fluoride
- 4-[[2-[3-(4,6-diamino-2,2-dimethyl-s-triazin-1-yl)phenyl]acetyl]amino]benzenesulfonyl fluoride
- 4-[2-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]ethanoylamino]benzenesulfonyl fluoride
Targets
Known targets for this compound
No curated genes were found associated with this compound
Predicted pathogen targets for this compound
By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Brugia malayi | Tubulin alpha chain | 0.0102 | 1 | 1 |
| Trichomonas vaginalis | tubulin beta chain, putative | 0.0092 | 0.8206 | 0.8206 |
| Echinococcus multilocularis | tubulin alpha chain | 0.0102 | 1 | 1 |
| Trichomonas vaginalis | tubulin alpha chain, putative | 0.0052 | 0.0532 | 0.0532 |
| Brugia malayi | Tubulin alpha-2 chain | 0.0102 | 1 | 1 |
| Echinococcus granulosus | tubulin alpha 1C chain | 0.0102 | 1 | 1 |
| Loa Loa (eye worm) | tubulin beta chain | 0.0092 | 0.8206 | 0.8206 |
| Leishmania major | alpha tubulin | 0.0102 | 1 | 1 |
| Echinococcus multilocularis | tubulin alpha chain | 0.0102 | 1 | 1 |
| Trichomonas vaginalis | tubulin gamma chain, putative | 0.0092 | 0.8206 | 0.8206 |
| Trichomonas vaginalis | tubulin beta chain, putative | 0.0102 | 1 | 1 |
| Trichomonas vaginalis | tubulin beta chain, putative | 0.0052 | 0.0532 | 0.0532 |
| Plasmodium vivax | tubulin alpha chain, putative | 0.0102 | 1 | 1 |
| Loa Loa (eye worm) | alpha-tubulin | 0.0102 | 1 | 1 |
| Leishmania major | alpha tubulin | 0.0102 | 1 | 1 |
| Echinococcus multilocularis | tubulin alpha 3 chain | 0.0102 | 1 | 1 |
| Trypanosoma brucei | beta tubulin | 0.0092 | 0.8206 | 0.8105 |
| Trichomonas vaginalis | tubulin alpha-1 chain, putative | 0.0102 | 1 | 1 |
| Brugia malayi | alpha-tubulin | 0.0102 | 1 | 1 |
| Loa Loa (eye worm) | beta-tubulin | 0.0092 | 0.8206 | 0.8206 |
| Leishmania major | alpha tubulin | 0.0102 | 1 | 1 |
| Schistosoma mansoni | tubulin subunit alpha | 0.0102 | 1 | 1 |
| Echinococcus multilocularis | tubulin alpha chain | 0.0102 | 1 | 1 |
| Echinococcus granulosus | peroxisome assembly protein 26 | 0.0102 | 1 | 1 |
| Entamoeba histolytica | tubulin alpha-1 chain | 0.0102 | 1 | 1 |
| Giardia lamblia | Alpha-tubulin | 0.0102 | 1 | 1 |
| Loa Loa (eye worm) | tubulin alpha chain | 0.0102 | 1 | 1 |
| Leishmania major | alpha tubulin | 0.0102 | 1 | 1 |
| Echinococcus multilocularis | Tubulin alpha 1 chain | 0.0102 | 1 | 1 |
| Loa Loa (eye worm) | tubulin beta-1 chain | 0.0092 | 0.8206 | 0.8206 |
| Trypanosoma brucei | beta tubulin | 0.0092 | 0.8206 | 0.8105 |
| Trichomonas vaginalis | tubulin alpha-1 chain, putative | 0.0062 | 0.2326 | 0.2326 |
| Loa Loa (eye worm) | BEN-1 protein | 0.0092 | 0.8206 | 0.8206 |
| Brugia malayi | Tubulin gamma chain | 0.0092 | 0.8206 | 0.8105 |
| Brugia malayi | beta-tubulin, identical | 0.0092 | 0.8206 | 0.8105 |
| Trypanosoma brucei | epsilon tubulin | 0.0092 | 0.8206 | 0.8105 |
| Loa Loa (eye worm) | tubulin alpha 2 | 0.0062 | 0.2326 | 0.2326 |
| Echinococcus multilocularis | Tubulin alpha 1 chain | 0.0102 | 1 | 1 |
| Echinococcus multilocularis | tubulin alpha chain | 0.0102 | 1 | 1 |
| Echinococcus granulosus | tubulin alpha 3 chain | 0.0102 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0102 | 1 | 1 |
| Leishmania major | alpha tubulin | 0.0102 | 1 | 1 |
| Echinococcus granulosus | tubulin alpha chain | 0.0102 | 1 | 1 |
| Brugia malayi | Tubulin beta-1 chain | 0.0092 | 0.8206 | 0.8105 |
| Plasmodium falciparum | alpha tubulin 2 | 0.0102 | 1 | 1 |
| Echinococcus multilocularis | hypothetical protein | 0.0102 | 1 | 1 |
| Trypanosoma brucei | beta tubulin | 0.0092 | 0.8206 | 0.8105 |
| Loa Loa (eye worm) | alpha-tubulin isotype 2 | 0.0062 | 0.2326 | 0.2326 |
| Echinococcus multilocularis | tubulin subunit TubB | 0.0102 | 1 | 1 |
| Giardia lamblia | Alpha-tubulin | 0.0102 | 1 | 1 |
| Trichomonas vaginalis | tubulin alpha chain, putative | 0.0052 | 0.0532 | 0.0532 |
| Echinococcus granulosus | tubulin alpha chain | 0.0102 | 1 | 1 |
| Leishmania major | alpha tubulin | 0.0102 | 1 | 1 |
| Trichomonas vaginalis | tubulin, putative | 0.0052 | 0.0532 | 0.0532 |
| Trichomonas vaginalis | tubulin, putative | 0.0092 | 0.8206 | 0.8206 |
| Trichomonas vaginalis | tubulin beta chain, putative | 0.0102 | 1 | 1 |
| Brugia malayi | tubulin alpha chain - mouse | 0.0102 | 1 | 1 |
| Leishmania major | alpha tubulin | 0.0102 | 1 | 1 |
| Trypanosoma brucei | epsilon tubulin | 0.0092 | 0.8206 | 0.8105 |
| Toxoplasma gondii | alpha tubulin TUBA1 | 0.0102 | 1 | 1 |
| Plasmodium vivax | tubulin alpha chain, putative | 0.0102 | 1 | 1 |
| Trichomonas vaginalis | tubulin beta chain, putative | 0.0102 | 1 | 1 |
| Echinococcus granulosus | Tubulin alpha 1 chain | 0.0102 | 1 | 1 |
| Plasmodium falciparum | alpha tubulin 1 | 0.0102 | 1 | 1 |
| Trypanosoma brucei | alpha tubulin | 0.0102 | 1 | 1 |
| Schistosoma mansoni | alpha tubulin | 0.0102 | 1 | 1 |
| Echinococcus granulosus | alpha tubulin | 0.0102 | 1 | 1 |
| Brugia malayi | Tubulin alpha-2 chain | 0.0102 | 1 | 1 |
| Trypanosoma brucei | alpha tubulin | 0.0102 | 1 | 1 |
| Toxoplasma gondii | alpha-tubulin I, putative | 0.0102 | 1 | 1 |
| Trichomonas vaginalis | tubulin gamma chain, putative | 0.0092 | 0.8206 | 0.8206 |
| Trichomonas vaginalis | tubulin epsilon chain, putative | 0.0092 | 0.8206 | 0.8206 |
| Trypanosoma cruzi | alpha tubulin, putative | 0.0102 | 1 | 1 |
| Echinococcus multilocularis | peroxisome assembly protein 26 | 0.0102 | 1 | 1 |
| Echinococcus granulosus | tubulin alpha chain | 0.0102 | 1 | 1 |
| Trypanosoma brucei | epsilon tubulin | 0.0092 | 0.8206 | 0.8105 |
| Schistosoma mansoni | tubulin subunit alpha | 0.0102 | 1 | 1 |
| Loa Loa (eye worm) | tubulin alpha-2 chain | 0.0102 | 1 | 1 |
| Leishmania major | alpha tubulin | 0.0102 | 1 | 1 |
| Trichomonas vaginalis | tubulin alpha chain, putative | 0.0092 | 0.8206 | 0.8206 |
| Leishmania major | alpha tubulin | 0.0102 | 1 | 1 |
| Echinococcus multilocularis | tubulin alpha chain | 0.0102 | 1 | 1 |
| Echinococcus multilocularis | tubulin alpha 3 chain | 0.0102 | 1 | 1 |
| Loa Loa (eye worm) | tubulin alpha 2 | 0.0062 | 0.2326 | 0.2326 |
| Trichomonas vaginalis | tubulin beta chain, putative | 0.0102 | 1 | 1 |
| Entamoeba histolytica | tubulin alpha chain, putative | 0.0102 | 1 | 1 |
| Trichomonas vaginalis | tubulin beta chain, putative | 0.0102 | 1 | 1 |
| Echinococcus granulosus | tubulin alpha chain | 0.0102 | 1 | 1 |
| Echinococcus granulosus | Tubulin alpha 1 chain | 0.0102 | 1 | 1 |
| Trichomonas vaginalis | tubulin alpha chain, putative | 0.0052 | 0.0532 | 0.0532 |
| Trypanosoma brucei | alpha tubulin | 0.0102 | 1 | 1 |
| Leishmania major | alpha tubulin | 0.0102 | 1 | 1 |
| Onchocerca volvulus | 0.0052 | 0.0532 | 0.5 | |
| Echinococcus multilocularis | tubulin alpha 1C chain | 0.0102 | 1 | 1 |
| Echinococcus granulosus | tubulin alpha 3 chain | 0.0102 | 1 | 1 |
| Trypanosoma brucei | alpha tubulin | 0.0102 | 1 | 1 |
| Trichomonas vaginalis | tubulin beta chain, putative | 0.0102 | 1 | 1 |
| Trypanosoma brucei | beta tubulin | 0.0092 | 0.8206 | 0.8105 |
| Echinococcus multilocularis | tubulin alpha 1C chain | 0.0102 | 1 | 1 |
| Loa Loa (eye worm) | tubulin alpha chain | 0.0102 | 1 | 1 |
| Trichomonas vaginalis | tubulin gamma chain, putative | 0.0092 | 0.8206 | 0.8206 |
| Schistosoma mansoni | tubulin subunit alpha | 0.0102 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0062 | 0.2326 | 0.2326 |
| Trichomonas vaginalis | tubulin alpha-1 chain, putative | 0.0052 | 0.0532 | 0.0532 |
| Trichomonas vaginalis | tubulin epsilon chain, putative | 0.0102 | 1 | 1 |
| Trypanosoma brucei | tubulin gamma chain | 0.0092 | 0.8206 | 0.8105 |
| Leishmania major | alpha tubulin | 0.0102 | 1 | 1 |
| Loa Loa (eye worm) | BEN-1 protein | 0.0092 | 0.8206 | 0.8206 |
| Echinococcus granulosus | tubulin alpha 1C chain | 0.0102 | 1 | 1 |
| Trichomonas vaginalis | tubulin epsilon chain, putative | 0.0092 | 0.8206 | 0.8206 |
| Echinococcus granulosus | tubulin alpha chain | 0.0102 | 1 | 1 |
| Loa Loa (eye worm) | tubulin gamma chain | 0.0092 | 0.8206 | 0.8206 |
| Schistosoma mansoni | alpha tubulin | 0.0102 | 1 | 1 |
| Trichomonas vaginalis | tubulin alpha chain, putative | 0.0092 | 0.8206 | 0.8206 |
| Echinococcus multilocularis | Tubulin alpha 1 chain | 0.0102 | 1 | 1 |
| Loa Loa (eye worm) | tubulin beta-4 chain | 0.0092 | 0.8206 | 0.8206 |
| Trichomonas vaginalis | tubulin epsilon chain, putative | 0.0102 | 1 | 1 |
| Loa Loa (eye worm) | alpha-tubulin | 0.0102 | 1 | 1 |
| Schistosoma mansoni | alpha tubulin | 0.0102 | 1 | 1 |
| Echinococcus granulosus | tubulin subunit TubB | 0.0102 | 1 | 1 |
| Trypanosoma brucei | beta tubulin | 0.0092 | 0.8206 | 0.8105 |
| Loa Loa (eye worm) | tubulin beta-2A chain | 0.0092 | 0.8206 | 0.8206 |
| Trichomonas vaginalis | tubulin, putative | 0.0052 | 0.0532 | 0.0532 |
| Echinococcus granulosus | Tubulin alpha 1 chain | 0.0102 | 1 | 1 |
| Leishmania major | alpha tubulin | 0.0102 | 1 | 1 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Log 1/C (binding) | = 7.34 | Inhibition of dihydrofolate reductase from rat Walker 256 leukaemia tumors | ChEMBL. | 1895302 |
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
- PubChem: 270814
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.