Detailed information for compound 1631124

Basic information

Technical information
  • TDR Targets ID: 1631124
  • Name: N-[(2-fluorophenyl)methylideneamino]-5-methyl -1,2,4-triazole-3,4-diamine
  • MW: 234.233 | Formula: C10H11FN6
  • H donors: 2 H acceptors: 2 LogP: 1.63 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccccc1/C=N/Nc1nnc(n1N)C
  • InChi: 1S/C10H11FN6/c1-7-14-16-10(17(7)12)15-13-6-8-4-2-3-5-9(8)11/h2-6H,12H2,1H3,(H,15,16)/b13-6+
  • InChiKey: FNQXKUOKYIIJBB-AWNIVKPZSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[(2-fluorophenyl)methyleneamino]-5-methyl-1,2,4-triazole-3,4-diamine
  • (4-amino-5-methyl-1,2,4-triazol-3-yl)-[(2-fluorobenzylidene)amino]amine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Giardia intestinalis Putative fructose-1,6-bisphosphate aldolase Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Giardia lamblia Fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Treponema pallidum fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Mycobacterium ulcerans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 26.9 %
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.8 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis CAMK family protein kinase 0.1126 1 1
Echinococcus multilocularis serine:threonine protein kinase Nek1 0.1097 0.9732 1
Trypanosoma brucei NIMA-related protein kinase 0.1126 1 0.5
Giardia lamblia Kinase, NEK 0.1126 1 1
Echinococcus granulosus serine:threonine protein kinase Nek1 0.1097 0.9732 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0 0.5
Trypanosoma brucei Serine/threonine-protein kinase NEK11, putative 0.1126 1 0.5
Leishmania major protein kinase, putative,serine/threonine-protein kinase Nek1, putative 0.1126 1 0.5
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0172 0.1094 0.5
Trichomonas vaginalis CAMK family protein kinase 0.1126 1 1
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0172 0.1094 0.5
Trypanosoma cruzi Serine/threonine-protein kinase NEK16, putative 0.1126 1 1
Trypanosoma cruzi Serine/threonine-protein kinase NEK11, putative 0.1126 1 1
Treponema pallidum fructose-bisphosphate aldolase 0.0353 0.278 0.5
Trypanosoma cruzi NIMA-related kinase, putative 0.1126 1 1
Plasmodium falciparum NIMA related kinase 2 0.1126 1 0.5
Toxoplasma gondii NEK kinase 0.1126 1 0.5
Plasmodium falciparum NIMA related kinase 4 0.1126 1 0.5
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0 0.5
Leishmania major protein kinase, putative 0.1126 1 0.5
Trypanosoma cruzi Serine/threonine-protein kinase NEK11, putative 0.1126 1 1
Trichomonas vaginalis CAMK family protein kinase 0.1126 1 1
Plasmodium vivax serine/threonine-protein kinase Nek1, putative 0.1126 1 0.5
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0172 0.1094 0.5
Leishmania major serine/threonine-protein kinase, putative 0.1126 1 0.5
Trichomonas vaginalis STE family protein kinase 0.1126 1 1
Trypanosoma brucei Serine/threonine-protein kinase NEK16, putative 0.1126 1 0.5
Toxoplasma gondii NEK kinase 0.1126 1 0.5
Schistosoma mansoni serine/threonine protein kinase 0.1126 1 1
Plasmodium vivax serine/threonine-protein kinase NEK4, putative 0.1126 1 0.5
Toxoplasma gondii NEK kinase 0.1126 1 0.5
Trichomonas vaginalis CAMK family protein kinase 0.1126 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia. (Class of assay: confirmatory) [Related pubchem assays: 2472, 2464 ] ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Glucosidase Cleavage of Glycogen. (Class of assay: confirmatory) [Related pubchem assays: 1473, 1466 ] 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.

External resources for this compound

Bibliographic References

No literature references available for this target.

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