Detailed information for compound 587883
Basic information
Technical information
- TDR Targets ID: 587883
- Name: (1,4-diphenyl-1,2,4-triazol-4-ium-3-yl)-pheny l-azanide
- MW: 312.368 | Formula: C20H16N4
-
H donors: 1
H acceptors: 1
LogP: 5.33
Rotable bonds: 4
Rule of 5 violations (Lipinski): 1 - SMILES: c1ccc(cc1)[N-]c1nn(c[n+]1c1ccccc1)c1ccccc1
- InChi: 1S/C20H16N4/c1-4-10-17(11-5-1)21-20-22-24(19-14-8-3-9-15-19)16-23(20)18-12-6-2-7-13-18/h1-16H
- InChiKey: CWGBFIRHYJNILV-UHFFFAOYSA-N
Network
Hover on a compound node to display the structore
Synonyms
- (1,4-diphenyl-1,2,4-triazol-4-ium-3-yl)-phenylazanide
- Collodion
- [1,4-di(phenyl)-1,2,4-triazol-4-ium-3-yl]-phenylazanide
- [1,4-di(phenyl)-1,2,4-triazol-4-ium-3-yl]-phenyl-azanide
- 2218-94-2
- 100406-05-1
- 100627-96-1
- 12283-40-8
- 487-88-7
- 57176-20-2
- 6035-01-4
- 99784-60-8
- 99994-22-6
- 1,4-Diphenyl-3-(phenylammonio)-1H-1,2,4-triazolium
- 1H-1,2,4-Triazolium, 1,4-diphenyl-3-(phenylamino)-, hydroxide, inner salt
- SBB008852
- 2,3,5,6-Tetraazabicyclo(2.1.1)hex-1-ene, 3,5,6-triphenyl- (8CI)(9CI)
- EINECS 218-724-2
- NSC 5038
- ZINC00391817
- Nitron
- 1H-1,2,4-Triazolium, 1,4-diphenyl-3-(phenylamino)-, inner salt
- ZINC00121181
- ZINC01037172
- 1,4-Diphenyl-3-phenylamino-1,2,4-triazolium hydroxide inner salt
- 4,5-Dihydro-2,4-diphenyl-5-(phenylimino)-1H-1,2,4-triazolium hydroxide inner salt
- 73490_FLUKA
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 |
|---|---|---|---|---|
| Leishmania major | fatty-acid desaturase, putative | 0.1188 | 1 | 1 |
| Echinococcus granulosus | Fatty acid desaturase type 1 | 0.0067 | 0 | 0.5 |
| Onchocerca volvulus | 0.0245 | 0.1589 | 0.1589 | |
| Entamoeba histolytica | fructose-1,6-bisphosphate aldolase, putative | 0.0303 | 0.21 | 0.5 |
| Mycobacterium leprae | Probable fructose bisphosphate aldolase Fba | 0.0148 | 0.0719 | 0.5 |
| Entamoeba histolytica | fructose-1,6-bisphosphate aldolase, putative | 0.0303 | 0.21 | 0.5 |
| Toxoplasma gondii | sphingolipid delta 4 desaturase/c-4 hydroxylase protein des2 family protein | 0.0067 | 0 | 0.5 |
| Onchocerca volvulus | 0.1188 | 1 | 1 | |
| Treponema pallidum | fructose-bisphosphate aldolase | 0.0303 | 0.21 | 0.5 |
| Trypanosoma cruzi | fatty acid desaturase, putative | 0.1121 | 0.9401 | 0.9401 |
| Trichomonas vaginalis | fructose-bisphosphate aldolase, putative | 0.0303 | 0.21 | 1 |
| Onchocerca volvulus | 0.1188 | 1 | 1 | |
| Echinococcus granulosus | Sphingolipid delta4 desaturase DES1 | 0.0067 | 0 | 0.5 |
| Trichomonas vaginalis | fructose-bisphosphate aldolase, putative | 0.0303 | 0.21 | 1 |
| Mycobacterium ulcerans | fructose-bisphosphate aldolase | 0.0148 | 0.0719 | 1 |
| Trichomonas vaginalis | fructose-bisphosphate aldolase, putative | 0.0303 | 0.21 | 1 |
| Brugia malayi | acyl-CoA desaturase | 0.1121 | 0.9401 | 1 |
| Trichomonas vaginalis | fructose-bisphosphate aldolase, putative | 0.0303 | 0.21 | 1 |
| Loa Loa (eye worm) | acyl-CoA desaturase | 0.1121 | 0.9401 | 1 |
| Trypanosoma brucei | fatty acid desaturase, putative | 0.1188 | 1 | 1 |
| Plasmodium falciparum | stearoyl-CoA desaturase | 0.1121 | 0.9401 | 0.5 |
| Trypanosoma cruzi | fatty acid desaturase, putative | 0.1188 | 1 | 1 |
| Schistosoma mansoni | fatty acid desaturase | 0.0067 | 0 | 0.5 |
| Echinococcus multilocularis | Peptidase M, neutral zinc metallopeptidases, zinc binding site | 0.0067 | 0 | 0.5 |
| Trichomonas vaginalis | fructose-bisphosphate aldolase, putative | 0.0303 | 0.21 | 1 |
| Trichomonas vaginalis | fructose-bisphosphate aldolase, putative | 0.0303 | 0.21 | 1 |
| Loa Loa (eye worm) | pre-SET domain-containing protein family protein | 0.0215 | 0.1323 | 0.1407 |
| Echinococcus multilocularis | Peptidase M, neutral zinc metallopeptidases, zinc binding site | 0.0067 | 0 | 0.5 |
| Trichomonas vaginalis | fructose-bisphosphate aldolase, putative | 0.0303 | 0.21 | 1 |
| Brugia malayi | Pre-SET motif family protein | 0.0215 | 0.1323 | 0.1407 |
| Plasmodium vivax | stearoyl-CoA desaturase (acyl-CoA desaturase, faty acid desaturase), putative | 0.1121 | 0.9401 | 0.5 |
| Trichomonas vaginalis | fructose-bisphosphate aldolase, putative | 0.0303 | 0.21 | 1 |
| Trypanosoma cruzi | fatty acid desaturase, putative | 0.1121 | 0.9401 | 0.9401 |
| Mycobacterium tuberculosis | Probable fructose-bisphosphate aldolase Fba | 0.0148 | 0.0719 | 1 |
| Echinococcus multilocularis | Fatty acid desaturase, type 1 | 0.0067 | 0 | 0.5 |
| Giardia lamblia | Fructose-bisphosphate aldolase | 0.0303 | 0.21 | 0.5 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Inhibition (binding) | < 30 % | Inhibition of Tet-induced Flag-tagged mouse TRPM7 expressed in HEK293 cells assessed as inhibition of channel-mediated cell death in presence of Mg2+ incubated for 24 to 48 hrs by propidium iodide uptake assay | ChEMBL. | No reference |
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.
Bibliographic References
46 literature references were collected for this gene.
If you have references for this compound, please enter them in a user comment (below) or Contact us.