TDR Targets

Basic information

Technical information

TDR Targets ID: 20710
Name: 3-(4-fluorophenyl)-5-(2-methylphenyl)-1H-1,2, 4-triazole
MW: 253.274 | Formula: C15H12FN3
H donors: 1 H acceptors: 2 LogP: 3.77 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: Fc1ccc(cc1)c1[nH]nc(n1)c1ccccc1C
InChi: 1S/C15H12FN3/c1-10-4-2-3-5-13(10)15-17-14(18-19-15)11-6-8-12(16)9-7-11/h2-9H,1H3,(H,17,18,19)
InChiKey: YFPAVAXUTBXIAH-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

3-(4-fluorophenyl)-5-(o-tolyl)-1H-1,2,4-triazole
69095-78-9
1H-1,2,4-Triazole, 3-(4-fluorophenyl)-5-(2-methylphenyl)-
5-(p-Fluorophenyl)-3-(o-tolyl)-s-triazole
BRN 5554311
s-Triazole, 5-(p-fluorophenyl)-3-(o-tolyl)-

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

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Leishmania major	beta tubulin	0.0027	0.0428	0.001
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0455	0.0106
Trypanosoma cruzi	serine carboxypeptidase (CBP1), putative	0.008	0.2911	0.2601
Trypanosoma brucei	hypothetical protein, conserved	0.0231	1	1
Mycobacterium ulcerans	citrate (pro-3S)-lyase subunit beta	0.0027	0.0419	0.5
Trypanosoma cruzi	serine peptidase, Clan SC, Family S10, putative	0.008	0.2911	0.2601
Schistosoma mansoni	tar DNA-binding protein	0.0069	0.2396	0.7926
Plasmodium vivax	ataxin-2 like protein, putative	0.0027	0.0455	1
Trypanosoma brucei	serine peptidase, Clan SC, Family S10	0.008	0.2911	0.2594
Trypanosoma brucei	serine peptidase, Clan SC, Family S10	0.008	0.2911	0.2594
Trypanosoma cruzi	PAB1-binding protein , putative	0.0027	0.0455	0.0038
Loa Loa (eye worm)	hypothetical protein	0.008	0.2911	1
Giardia lamblia	Beta tubulin	0.0027	0.0428	0.5
Brugia malayi	hypothetical protein	0.0039	0.1003	0.3445
Echinococcus multilocularis	Tubulin beta 2C chain	0.0027	0.0428	0.0038
Leishmania major	hypothetical protein, conserved	0.0027	0.0455	0.0038
Leishmania major	beta tubulin	0.0027	0.0428	0.001
Schistosoma mansoni	transcription factor LCR-F1	0.0039	0.1003	0.2315
Echinococcus granulosus	tubulin beta 4A class IVa	0.0027	0.0428	0.0038
Echinococcus granulosus	Tubulin beta 2C chain	0.0027	0.0428	0.0038
Onchocerca volvulus	Uncharacterized serine carboxypeptidase homolog	0.008	0.2911	0.5
Brugia malayi	beta-tubulin, identical	0.0027	0.0428	0.1471
Trichomonas vaginalis	tubulin gamma chain, putative	0.0027	0.0428	1
Leishmania major	beta tubulin	0.0027	0.0428	0.001
Loa Loa (eye worm)	TAR-binding protein	0.0069	0.2396	0.7926
Schistosoma mansoni	hypothetical protein	0.0039	0.1003	0.2315
Leishmania major	beta tubulin	0.0027	0.0428	0.001
Trypanosoma cruzi	hypothetical protein, conserved	0.0231	1	1
Leishmania major	beta tubulin	0.0027	0.0428	0.001
Loa Loa (eye worm)	RNA binding protein	0.0069	0.2396	0.7926
Echinococcus multilocularis	tubulin subunit beta	0.0027	0.0428	0.0038
Brugia malayi	Tubulin beta-1 chain	0.0027	0.0428	0.1471
Leishmania major	beta tubulin	0.0027	0.0428	0.001
Giardia lamblia	Beta tubulin	0.0027	0.0428	0.5
Entamoeba histolytica	hypothetical protein	0.0039	0.1003	1
Echinococcus granulosus	family S10 non peptidase ue S10 family	0.0072	0.2541	0.8517
Leishmania major	beta tubulin	0.0027	0.0428	0.001
Leishmania major	beta tubulin	0.0027	0.0428	0.001
Echinococcus granulosus	tubulin subunit beta	0.0027	0.0428	0.0038
Schistosoma mansoni	family S10 non-peptidase homologue (S10 family)	0.008	0.2911	1
Trypanosoma cruzi	beta tubulin, putative	0.0027	0.0428	0.001
Leishmania major	beta tubulin	0.0027	0.0428	0.001
Leishmania major	serine carboxypeptidase (CBP1), putative,serine peptidase, Clan SC, Family S10	0.008	0.2911	0.2601
Schistosoma mansoni	tar DNA-binding protein	0.0069	0.2396	0.7926
Echinococcus multilocularis	Tubulin beta 2C chain	0.0027	0.0428	0.0038
Echinococcus granulosus	Tubulin beta 2C chain	0.0027	0.0428	0.0038
Brugia malayi	Serine carboxypeptidase F41C3.5 precursor	0.008	0.2911	1
Brugia malayi	RNA binding protein	0.0069	0.2396	0.8231
Leishmania major	beta tubulin	0.0027	0.0428	0.001
Echinococcus granulosus	beta tubulin	0.0027	0.0428	0.0038
Trypanosoma brucei	serine peptidase, Clan SC, Family S10	0.008	0.2911	0.2594
Trichomonas vaginalis	tubulin beta chain, putative	0.0027	0.0428	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0027	0.0455	1
Leishmania major	beta tubulin	0.0027	0.0428	0.001
Mycobacterium ulcerans	hypothetical protein	0.0027	0.0419	0.5
Toxoplasma gondii	LsmAD domain-containing protein	0.0027	0.0455	1
Mycobacterium tuberculosis	Conserved protein	0.0027	0.0419	0.5
Brugia malayi	RNA recognition motif domain containing protein	0.0069	0.2396	0.8231
Echinococcus granulosus	lysosomal protective protein	0.008	0.2911	1
Leishmania major	beta tubulin	0.0027	0.0428	0.001
Entamoeba histolytica	hypothetical protein	0.0039	0.1003	1
Echinococcus granulosus	Tubulin beta 2C chain	0.0027	0.0428	0.0038
Mycobacterium ulcerans	citrate (pro-3S)-lyase subunit beta	0.0027	0.0419	0.5
Echinococcus multilocularis	Tubulin beta 2C chain	0.0027	0.0428	0.0038
Echinococcus multilocularis	Tubulin beta 2C chain	0.0027	0.0428	0.0038
Trichomonas vaginalis	tubulin, putative	0.0027	0.0428	1
Echinococcus multilocularis	lysosomal protective protein	0.008	0.2911	1
Echinococcus multilocularis	family S10 non peptidase ue (S10 family)	0.0072	0.2541	0.8517
Echinococcus multilocularis	tubulin beta 1 chain	0.0027	0.0428	0.0038
Brugia malayi	hypothetical protein	0.0027	0.0455	0.1562
Trichomonas vaginalis	tubulin alpha chain, putative	0.0027	0.0428	1
Echinococcus multilocularis	Tubulin beta 2C chain	0.0027	0.0428	0.0038
Trypanosoma cruzi	serine carboxypeptidase (CBP1), putative	0.008	0.2911	0.2601
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0069	0.2396	0.7926
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0027	0.0428	1
Schistosoma mansoni	tar DNA-binding protein	0.0069	0.2396	0.7926
Entamoeba histolytica	hypothetical protein	0.0039	0.1003	1
Leishmania major	beta tubulin	0.0027	0.0428	0.001
Echinococcus granulosus	tar DNA binding protein	0.0069	0.2396	0.7934
Schistosoma mansoni	tar DNA-binding protein	0.0069	0.2396	0.7926
Mycobacterium ulcerans	hypothetical protein	0.0027	0.0419	0.5
Leishmania major	beta tubulin	0.0027	0.0428	0.001
Echinococcus multilocularis	beta tubulin	0.0027	0.0428	0.0038
Entamoeba histolytica	hypothetical protein	0.0039	0.1003	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0027	0.0455	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0039	0.1003	0.2344
Trypanosoma cruzi	hypothetical protein, conserved	0.0231	1	1
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0027	0.0428	1
Trypanosoma brucei	PAB1-binding protein , putative	0.0027	0.0455	0.0028
Brugia malayi	TAR-binding protein	0.0069	0.2396	0.8231
Leishmania major	beta tubulin	0.0027	0.0428	0.001
Mycobacterium ulcerans	citrate lyase beta subunit, CitE_2	0.0027	0.0419	0.5
Echinococcus granulosus	beta tubulin	0.0027	0.0428	0.0038
Leishmania major	beta tubulin	0.0027	0.0428	0.001
Echinococcus multilocularis	tubulin, beta 4A class IVa	0.0027	0.0428	0.0038
Echinococcus granulosus	Tubulin beta 2C chain	0.0027	0.0428	0.0038
Schistosoma mansoni	tar DNA-binding protein	0.0069	0.2396	0.7926
Echinococcus granulosus	tubulin beta 1 chain	0.0027	0.0428	0.0038
Schistosoma mansoni	family S10 unassigned peptidase (S10 family)	0.008	0.2911	1
Leishmania major	beta tubulin	0.0027	0.0428	0.001
Giardia lamblia	Beta tubulin	0.0027	0.0428	0.5
Echinococcus multilocularis	tar DNA binding protein	0.0069	0.2396	0.7934
Echinococcus multilocularis	beta tubulin	0.0027	0.0428	0.0038
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0039	0.1003	0.2344
Trypanosoma cruzi	serine peptidase, Clan SC, Family S10, putative	0.008	0.2911	0.2601
Echinococcus granulosus	Tubulin beta 2C chain	0.0027	0.0428	0.0038
Leishmania major	beta tubulin	0.0027	0.0428	0.001
Mycobacterium tuberculosis	Probable citrate (pro-3S)-lyase (beta subunit) CitE (citrase) (citratase) (citritase) (citridesmolase) (citrase aldolase)	0.0027	0.0419	0.5
Trypanosoma cruzi	PAB1-binding protein , putative	0.0027	0.0455	0.0038

Activities

Activity type	Activity value	Assay description	Source	Reference
ED50 (functional)	ND 0 mg kg-1	Pregnancy-terminating activity in hamster when administered po	ChEMBL.	6876087
ED50 (functional)	= 3.5 mg kg-1	Pregnancy-terminating activity in hamster when administered sc	ChEMBL.	6876087

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

ChEMBL: CHEMBL18440
PubChem: 135292

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.

Detailed information for compound 20710