Detailed information for compound 1274552

Basic information

Technical information
  • TDR Targets ID: 1274552
  • Name: N-(2,5-difluorophenyl)-2-[(4-phenyl-1,2,4-tri azol-3-yl)sulfanyl]acetamide
  • MW: 346.354 | Formula: C16H12F2N4OS
  • H donors: 1 H acceptors: 3 LogP: 3.03 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1cc(F)ccc1F)CSc1nncn1c1ccccc1
  • InChi: 1S/C16H12F2N4OS/c17-11-6-7-13(18)14(8-11)20-15(23)9-24-16-21-19-10-22(16)12-4-2-1-3-5-12/h1-8,10H,9H2,(H,20,23)
  • InChiKey: UGTXDJCUAHBVPQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(2,5-difluorophenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]acetamide
  • N-(2,5-difluorophenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide
  • T5349670

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
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0007 0.0014 0.0031
Echinococcus granulosus snurportin 1 0.035 0.4424 1
Echinococcus multilocularis transfer RNA-Phe 0.0007 0.0014 0.0014
Echinococcus granulosus myosin light chain kinase smooth muscle 0.0257 0.3228 0.7296
Leishmania major GTP-binding protein, putative 0.0024 0.0235 0.8795
Brugia malayi Immunoglobulin I-set domain containing protein 0.0007 0.0014 0.0054
Onchocerca volvulus 0.0233 0.292 1
Entamoeba histolytica Ran family GTPase 0.0024 0.0235 0.2685
Echinococcus granulosus transportin 1 0.0006 0.0005 0.001
Brugia malayi protein unc-22 0.0007 0.0017 0.0067
Schistosoma mansoni nephrin 0.0007 0.0014 0.0031
Onchocerca volvulus 0.0029 0.0302 0.1035
Echinococcus multilocularis contactin neuroglian septate junction protein 0.0007 0.0014 0.0014
Brugia malayi Pre-SET motif family protein 0.0029 0.0302 0.1182
Mycobacterium ulcerans nitrate/nitrite response regulator protein NarL 0.008 0.0951 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0136 0.1675 0.6553
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0165 0.4682
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0007 0.0017 0.0038
Echinococcus multilocularis serine:threonine protein kinase 0.0257 0.3228 0.3228
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0302 0.0683
Onchocerca volvulus 0.0007 0.0017 0.0058
Echinococcus granulosus titin 0.0007 0.0017 0.0038
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0024 0.0235 0.0531
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0007 0.0014 0.0031
Mycobacterium tuberculosis Possible nitrate/nitrite response transcriptional regulatory protein NarL 0.008 0.0951 1
Echinococcus granulosus serine:threonine protein kinase 0.0257 0.3228 0.7296
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0.0165 0.188
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0244 0.6993
Brugia malayi Importin beta-1 subunit 0.0033 0.0346 0.1355
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0136 0.1675 0.3786
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0074 0.0875 0.0875
Echinococcus granulosus translational activator gcn1 0.0006 0.0005 0.001
Echinococcus multilocularis neuroglian 0.0007 0.0014 0.0014
Trichomonas vaginalis importin beta-1, putative 0.0027 0.0267 0.0913
Onchocerca volvulus 0.0007 0.0014 0.0048
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0165 0.4682
Loa Loa (eye worm) hypothetical protein 0.0029 0.0302 0.0683
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0165 0.0372
Echinococcus granulosus titin 0.0007 0.0017 0.0038
Loa Loa (eye worm) hypothetical protein 0.0033 0.0346 0.0783
Brugia malayi hypothetical protein 0.0025 0.0244 0.0953
Entamoeba histolytica hypothetical protein 0.0074 0.0875 1
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0027 0.0267 0.0913
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0007 0.0017 0.0038
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.0302 0.0683
Loa Loa (eye worm) projectin 0.0007 0.0014 0.0031
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0165 0.0564
Leishmania major hypothetical protein, conserved 0.0025 0.0244 0.9121
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0165 0.6106
Loa Loa (eye worm) hypothetical protein 0.0007 0.0014 0.0031
Leishmania major importin beta-1 subunit, putative 0.0027 0.0267 1
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0165 0.0564
Echinococcus multilocularis roundabout 2 0.0007 0.0014 0.0014
Echinococcus multilocularis geminin 0.0184 0.2296 0.2296
Loa Loa (eye worm) hypothetical protein 0.0007 0.0014 0.0031
Schistosoma mansoni cell adhesion molecule 0.0007 0.0014 0.0031
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0165 0.0644
Brugia malayi Immunoglobulin I-set domain containing protein 0.0007 0.0014 0.0054
Brugia malayi Immunoglobulin I-set domain containing protein 0.0007 0.0014 0.0054
Echinococcus granulosus contactin 0.0007 0.0014 0.0031
Echinococcus multilocularis importin subunit beta 1 0.0033 0.0346 0.0346
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0136 0.1675 0.1675
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0244 0.7741
Loa Loa (eye worm) importin-beta domain-containing protein 0.0006 0.0005 0.001
Echinococcus granulosus nephrin 0.0007 0.0014 0.0031
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0205 0.2556 0.5778
Schistosoma mansoni ran 0.0024 0.0235 0.0531
Trypanosoma brucei ULK family serine/threonine-protein kinase, putative 0.0006 0.0008 0.0092
Schistosoma mansoni serine/threonine protein kinase 0.0007 0.0017 0.0038
Trichomonas vaginalis set domain proteins, putative 0.0233 0.292 1
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0007 0.0014 0.0031
Mycobacterium ulcerans two component transcriptional regulator 0.008 0.0951 1
Mycobacterium tuberculosis Probable transcriptional regulatory protein (LuxR-family) 0.008 0.0951 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0165 0.5
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0302 0.0302
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0244 0.6993
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0244 0.6993
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0302 0.8712
Brugia malayi Immunoglobulin I-set domain containing protein 0.0007 0.0014 0.0054
Trichomonas vaginalis ran, putative 0.0024 0.0235 0.0805
Schistosoma mansoni importin beta-1 0.0033 0.0346 0.0783
Schistosoma mansoni transcription factor LCR-F1 0.0074 0.0875 0.1978
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0165 0.0372
Trypanosoma brucei importin beta-1 subunit, putative 0.0033 0.0346 1
Schistosoma mansoni cell adhesion molecule 0.0007 0.0014 0.0031
Brugia malayi Pre-SET motif family protein 0.0205 0.2556 1
Echinococcus granulosus GTP binding nuclear protein Ran 0.0024 0.0235 0.0531
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0136 0.1675 0.1675
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0165 0.0165
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0007 0.0014 0.0014
Schistosoma mansoni titin 0.0007 0.0017 0.0038
Schistosoma mansoni hypothetical protein 0.0184 0.2296 0.5189
Brugia malayi Immunoglobulin I-set domain containing protein 0.0007 0.0017 0.0067
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0136 0.1675 0.3786
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0029 0.0302 0.0302
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0007 0.0014 0.0031
Echinococcus multilocularis titin 0.0007 0.0017 0.0017
Echinococcus multilocularis myosin light chain kinase, smooth muscle 0.0257 0.3228 0.3228
Echinococcus multilocularis roundabout 2 0.0007 0.0014 0.0014
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.035 0.4424 1
Toxoplasma gondii exonuclease III APE 0.0019 0.0165 0.4682
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0136 0.1675 0.3786
Brugia malayi Immunoglobulin I-set domain containing protein 0.0007 0.0014 0.0054
Brugia malayi Immunoglobulin I-set domain containing protein 0.0007 0.0014 0.0054
Mycobacterium ulcerans two component transcriptional regulatory protein DevR 0.008 0.0951 1
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0007 0.0014 0.0031
Brugia malayi Immunoglobulin I-set domain containing protein 0.0007 0.0014 0.0054
Brugia malayi RNA, U transporter 1 0.0093 0.1123 0.4394
Entamoeba histolytica hypothetical protein 0.0074 0.0875 1
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0024 0.0235 0.6907
Schistosoma mansoni ap endonuclease 0.0019 0.0165 0.0372
Echinococcus multilocularis importin 5 0.0006 0.0005 0.0005
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0011 0.0068 0.0068
Echinococcus granulosus roundabout 2 0.0007 0.0014 0.0031
Brugia malayi Immunoglobulin I-set domain containing protein 0.0007 0.0014 0.0054
Schistosoma mansoni hypothetical protein 0.0184 0.2296 0.5189
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0136 0.1675 0.3786
Schistosoma mansoni hypothetical protein 0.035 0.4424 1
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0007 0.0014 0.0031
Echinococcus multilocularis snurportin 1 0.035 0.4424 0.4424
Trichomonas vaginalis hypothetical protein 0.0006 0.0005 0.0016
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0244 0.6993
Entamoeba histolytica hypothetical protein 0.0027 0.0267 0.3046
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0244 0.6993
Loa Loa (eye worm) hypothetical protein 0.0025 0.0244 0.055
Trypanosoma brucei importin beta-1 subunit, putative 0.0033 0.0346 1
Schistosoma mansoni ap endonuclease 0.0019 0.0165 0.0372
Mycobacterium tuberculosis Probable transcriptional regulatory protein 0.008 0.0951 1
Schistosoma mansoni cell adhesion molecule 0.0007 0.0014 0.0031
Mycobacterium tuberculosis Possible two component transcriptional regulatory protein (probably LuxR-family) 0.008 0.0951 1
Schistosoma mansoni nephrin 0.0007 0.0014 0.0031
Echinococcus granulosus roundabout 2 0.0007 0.0014 0.0031
Loa Loa (eye worm) kap beta 3 protein 0.0006 0.0005 0.001
Echinococcus multilocularis transportin 1 0.0006 0.0005 0.0005
Plasmodium vivax SET domain protein, putative 0.0029 0.0302 0.8712
Echinococcus multilocularis roundabout 2 0.0007 0.0014 0.0014
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0024 0.0235 0.6744
Entamoeba histolytica hypothetical protein 0.0074 0.0875 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0136 0.1675 0.3786
Schistosoma mansoni hypothetical protein 0.0011 0.0068 0.0153
Schistosoma mansoni myosin-binding protein-related 0.0007 0.0014 0.0031
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0024 0.0235 0.6744
Schistosoma mansoni hemicentin 0.0007 0.0014 0.0031
Schistosoma mansoni neuroglian 0.0007 0.0014 0.0031
Echinococcus multilocularis translational activator gcn1 0.0006 0.0005 0.0005
Schistosoma mansoni titin 0.0007 0.0014 0.0031
Schistosoma mansoni ran 0.0024 0.0235 0.0531
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0024 0.0235 0.0235
Brugia malayi hypothetical protein 0.0074 0.0875 0.3424
Trypanosoma cruzi importin beta-1 subunit, putative 0.0027 0.0267 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0302 0.0683
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0024 0.0235 1
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0027 0.0267 0.0913
Loa Loa (eye worm) CAMK protein kinase 0.0007 0.0017 0.0038
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0024 0.0235 0.6744
Entamoeba histolytica hypothetical protein 0.0074 0.0875 1
Schistosoma mansoni hypothetical protein 0.0074 0.0875 0.1978
Schistosoma mansoni importin-beta 2 0.0006 0.0005 0.001
Toxoplasma gondii HEAT repeat-containing protein 0.0033 0.0346 1
Mycobacterium leprae PROBABLE TRANSCRIPTIONAL REGULATORY PROTEIN 0.008 0.0951 0.5
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0302 0.0683
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0007 0.0014 0.0014
Echinococcus granulosus roundabout 2 0.0007 0.0014 0.0031
Mycobacterium tuberculosis Possible transcriptional regulatory protein 0.008 0.0951 1
Loa Loa (eye worm) hypothetical protein 0.0007 0.0014 0.0031
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0011 0.0068 0.0153
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0024 0.0235 0.6907
Mycobacterium ulcerans hypothetical protein 0.008 0.0951 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0244 0.7741
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.0165 0.5
Mycobacterium ulcerans putative regulatory protein 0.008 0.0951 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0302 0.0683
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0288 0.0652
Plasmodium vivax importin-beta 2, putative 0.0033 0.0346 1
Echinococcus granulosus geminin 0.0184 0.2296 0.5189
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0024 0.0235 0.6744
Mycobacterium tuberculosis Probable transcriptional regulatory protein (probably LuxR/UhpA-family) 0.008 0.0951 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0007 0.0014 0.0054
Echinococcus multilocularis receptor type tyrosine protein phosphatase F 0.0007 0.0014 0.0014
Onchocerca volvulus 0.0007 0.0014 0.0048
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0007 0.0014 0.0031
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0165 0.4682
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0074 0.0875 0.1978
Plasmodium falciparum importin beta, putative 0.0033 0.0346 1
Brugia malayi hypothetical protein 0.0016 0.0131 0.0511
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0136 0.1675 0.3786
Entamoeba histolytica HEAT repeat domain containing protein 0.0006 0.0005 0.0052
Echinococcus granulosus importin subunit beta 1 0.0033 0.0346 0.0783
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0024 0.0235 0.0919
Echinococcus granulosus neuroglian 0.0007 0.0014 0.0031
Schistosoma mansoni hypothetical protein 0.0007 0.0014 0.0031
Brugia malayi kap beta 3 protein 0.0006 0.0005 0.0018
Echinococcus granulosus importin 5 0.0006 0.0005 0.001
Schistosoma mansoni cell adhesion molecule 0.0007 0.0014 0.0031

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.2617 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 6.5733 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 32.6427 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.