Detailed information for compound 1406938

Basic information

Technical information
  • TDR Targets ID: 1406938
  • Name: 5-(4-chlorophenyl)sulfanyl-3-phenyl-6-(triflu oromethyl)-1,2,4-triazine
  • MW: 367.776 | Formula: C16H9ClF3N3S
  • H donors: 0 H acceptors: 3 LogP: 4.81 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)Sc1nc(nnc1C(F)(F)F)c1ccccc1
  • InChi: 1S/C16H9ClF3N3S/c17-11-6-8-12(9-7-11)24-15-13(16(18,19)20)22-23-14(21-15)10-4-2-1-3-5-10/h1-9H
  • InChiKey: VZUKLAWVFVOAFF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-[(4-chlorophenyl)thio]-3-phenyl-6-(trifluoromethyl)-1,2,4-triazine
  • 4-chlorophenyl 3-phenyl-6-(trifluoromethyl)-1,2,4-triazin-5-yl sulfide
  • MLS000546869
  • SMR000180067
  • Bionet1_004797
  • 4R-1519

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Schistosoma mansoni Thioredoxin glutathione reductase Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens X-box binding protein 1 Starlite/ChEMBL No references
Mus musculus DNA-damage inducible transcript 3 Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Rattus norvegicus Inositol monophosphatase 1 Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma cruzi trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi Inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Brugia malayi glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis X box binding protein 1 Get druggable targets OG5_134980 All targets in OG5_134980
Schistosoma japonicum IPR011700,Basic leucine zipper;IPR004827,Basic-leucine zipper (bZIP) transcription factor;IPR008917,Eukaryotic transcription fac Get druggable targets OG5_134980 All targets in OG5_134980
Leishmania braziliensis myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Plasmodium vivax glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium yoelii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Entamoeba histolytica myo-inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Plasmodium falciparum thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania mexicana myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Plasmodium knowlesi thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Neospora caninum Glutathione reductase, related Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma congolense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania mexicana trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium ulcerans extragenic suppressor protein SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Babesia bovis thiodoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania infantum trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi Thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma congolense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Plasmodium berghei thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Cryptosporidium parvum thioredoxin reductase 1 Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], putative Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum ko:K01092 myo-inositol-1(or 4)-monophosphatase [EC3.1.3.25], putative Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Theileria parva thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Echinococcus granulosus X box binding protein 1 Get druggable targets OG5_134980 All targets in OG5_134980
Plasmodium yoelii glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Toxoplasma gondii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Neospora caninum hypothetical protein Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni hypothetical protein Get druggable targets OG5_134980 All targets in OG5_134980
Neospora caninum MGC84926 protein, related Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Cryptosporidium hominis thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium knowlesi glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium vivax thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania donovani myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Plasmodium falciparum glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Plasmodium berghei glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania infantum myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum IPR011700,Basic leucine zipper;IPR004827,Basic-leucine zipper (bZIP) transcription factor;IPR008917,Eukaryotic transcription fac Get druggable targets OG5_134980 All targets in OG5_134980
Leishmania major trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania donovani trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania braziliensis trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei gambiense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin glutathione reductase   598 aa 513 aa 25.0 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 521 aa 21.5 %
Trypanosoma congolense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 28.9 %
Brugia malayi Inositol monophosphatase family protein Inositol monophosphatase 1   277 aa 238 aa 21.8 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase 1 Inositol monophosphatase 1   277 aa 275 aa 22.2 %
Trypanosoma cruzi inositol polyphosphate 1-phosphatase, putative Inositol monophosphatase 1   277 aa 291 aa 23.7 %
Trypanosoma brucei inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 27.3 %
Schistosoma mansoni pap-inositol-14-phosphatase Inositol monophosphatase 1   277 aa 279 aa 22.9 %
Neospora caninum hypothetical protein Thioredoxin glutathione reductase   598 aa 485 aa 30.5 %
Onchocerca volvulus Thioredoxin glutathione reductase   598 aa 533 aa 50.8 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin glutathione reductase   598 aa 555 aa 33.5 %
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 309 aa 27.8 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 268 aa 22.4 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 518 aa 22.0 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 538 aa 25.3 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 258 aa 21.7 %
Loa Loa (eye worm) hypothetical protein Inositol monophosphatase 1   277 aa 298 aa 23.8 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 263 aa 24.0 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 306 aa 22.5 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Onchocerca volvulus Inositol monophosphatase 1   277 aa 238 aa 22.7 %
Onchocerca volvulus Putative 28S ribosomal protein S10, mitochondrial Inositol monophosphatase 1   277 aa 271 aa 46.1 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase Inositol monophosphatase 1   277 aa 230 aa 25.2 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 287 aa 22.3 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin glutathione reductase   598 aa 512 aa 28.3 %
Onchocerca volvulus Putative trans-2-enoyl-CoA reductase 1, mitochondrial Inositol monophosphatase 1   277 aa 278 aa 23.0 %
Trypanosoma cruzi myo-inositol-1 phosphatase, putative Inositol monophosphatase 1   277 aa 284 aa 30.6 %
Schistosoma japonicum ko:K01082 3'(2'), 5'-bisphosphate nucleotidase [EC3.1.3.7], putative Inositol monophosphatase 1   277 aa 275 aa 21.5 %
Trichomonas vaginalis diphosphonucleoside phosphohydrolase, putative Inositol monophosphatase 1   277 aa 263 aa 21.7 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin glutathione reductase   598 aa 537 aa 24.2 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 307 aa 22.5 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 300 aa 22.0 %
Neospora caninum glutathione reductase, putative Thioredoxin glutathione reductase   598 aa 532 aa 34.6 %
Trichomonas vaginalis myo inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 276 aa 21.4 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis calpain 0.0283 0.3069 0.3038
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0059 0.0014
Plasmodium falciparum calpain 0.0085 0.057 1
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0085 0.057 0.1735
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.0059 0.0049
Toxoplasma gondii cathepsin B 0.0274 0.2962 1
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0283 0.3069 0.3038
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0085 0.057 0.0527
Onchocerca volvulus 0.0467 0.5396 1
Echinococcus granulosus X box binding protein 1 0.0348 0.3893 0.3865
Brugia malayi calpain family protein 1 0.075 0.8969 0.8965
Trichomonas vaginalis Clan CA, family C2, calpain-like cysteine peptidase 0.0085 0.057 0.1799
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0085 0.057 0.1735
Trypanosoma brucei cysteine peptidase, Clan CA, family C2, putative 0.0085 0.057 0.1735
Schistosoma mansoni calpain C (C02 family) 0.0283 0.3069 0.3038
Echinococcus granulosus calpain A 0.0283 0.3069 0.3038
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.0059 0.0049
Giardia lamblia Cathepsin B precursor 0.0274 0.2962 0.5
Echinococcus granulosus calpain 0.0283 0.3069 0.3038
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0085 0.057 0.1735
Brugia malayi glutathione reductase 0.0046 0.0073 0.0028
Trypanosoma brucei calpain-like protein, putative 0.0283 0.3069 1
Echinococcus granulosus calpain 7 C02 family 0.0283 0.3069 0.3038
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0085 0.057 0.1735
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0045 0.0059 0.0075
Trypanosoma brucei Calpain-like protein CALP1.3 0.0085 0.057 0.1735
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0274 0.2962 0.293
Leishmania major calpain protease-like protein 0.0085 0.057 0.1735
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0085 0.057 0.0527
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.0045 0.0149
Trypanosoma brucei cysteine peptidase, Clan CA, family C2, putative 0.0283 0.3069 1
Brugia malayi calpain 5 0.0085 0.057 0.0528
Trypanosoma cruzi cytoskeleton-associated protein CAP5.5, putative 0.0085 0.057 0.0527
Trypanosoma brucei calpain-like protein, putative 0.0283 0.3069 1
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.0045 0.0149
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0085 0.057 0.0527
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.3006 1
Brugia malayi calpain family protein 1 0.075 0.8969 0.8965
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0104 0.0812 0.2702
Leishmania major calpain, putative,cysteine peptidase, Clan CA, family C2, putative 0.0283 0.3069 1
Echinococcus multilocularis hypothetical protein 0.0283 0.3069 0.3038
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) 0.0784 0.9398 0.9396
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.0045 0.0149
Schistosoma mansoni calpain-2 (C02 family) 0.0085 0.057 0.0528
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0283 0.3069 1
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.0045 0.0149
Loa Loa (eye worm) calpain family protein 1 0.075 0.8969 0.8965
Brugia malayi calpain D 0.0085 0.057 0.0528
Leishmania major kinesin, putative 0.0198 0.1995 0.6447
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0283 0.3069 0.3038
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0045 0.0059 0.0049
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0085 0.057 0.1735
Echinococcus granulosus calpain 5 0.0283 0.3069 0.3038
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0274 0.2962 0.9646
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0085 0.057 0.0527
Trypanosoma cruzi cytoskeleton-associated protein CAP5.5, putative 0.0085 0.057 0.0527
Mycobacterium tuberculosis Probable dehydrogenase 0.0104 0.0812 0.2702
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0283 0.3069 0.3038
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0085 0.057 0.1735
Brugia malayi Thioredoxin reductase 0.0046 0.0073 0.0028
Schistosoma mansoni Mername-AA248 (C02 family) 0.0283 0.3069 0.3038
Echinococcus granulosus inositol monophosphatase 1 0.0045 0.0059 0.0015
Trypanosoma brucei kinesin, putative 0.0198 0.1995 0.6447
Echinococcus multilocularis calpain A 0.0784 0.9398 0.9396
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0085 0.057 0.0527
Trypanosoma brucei cysteine peptidase, Clan CA, family C2, putative 0.0085 0.057 0.1735
Mycobacterium tuberculosis Probable reductase 0.0104 0.0812 0.2702
Plasmodium vivax glutathione reductase, putative 0.0046 0.0073 0.0092
Echinococcus multilocularis calpain 7 (C02 family) 0.0283 0.3069 0.3038
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0784 0.9398 0.9396
Leishmania major calpain-like protein, putative,cysteine peptidase, Clan CA, family C2, putative 0.0085 0.057 0.1735
Echinococcus multilocularis calpain family protein 1, d 0.0552 0.647 0.6454
Trypanosoma brucei cysteine peptidase, putative 0.0085 0.057 0.1735
Trypanosoma brucei antigen, putative 0.0283 0.3069 1
Loa Loa (eye worm) hypothetical protein 0.0552 0.647 0.6454
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0046 0.0073 0.0242
Loa Loa (eye worm) hypothetical protein 0.0085 0.057 0.0527
Mycobacterium tuberculosis Conserved protein 0.0043 0.0045 0.0149
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0283 0.3069 0.3038
Trypanosoma cruzi conserved protein 0.0085 0.057 0.0527
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0085 0.057 0.1735
Loa Loa (eye worm) inositol-1 0.0045 0.0059 0.0014
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0104 0.0812 0.2702
Trypanosoma cruzi kinesin, putative 0.0198 0.1995 0.1959
Trypanosoma cruzi kinesin, putative 0.0198 0.1995 0.1959
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0045 0.0468
Brugia malayi Inositol-1 0.0045 0.0059 0.0015
Giardia lamblia Cathepsin B precursor 0.0274 0.2962 0.5
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0045 0.0059 1
Trypanosoma brucei trypanothione reductase 0.0046 0.0073 0.0092
Mycobacterium tuberculosis Conserved protein 0.0043 0.0045 0.0149
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0085 0.057 0.1735
Loa Loa (eye worm) hypothetical protein 0.0467 0.5396 0.5375
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.0045 0.0149
Mycobacterium tuberculosis Conserved protein 0.0043 0.0045 0.0149
Mycobacterium leprae Probable lipase LipE 0.0043 0.0045 0.0468
Entamoeba histolytica protein kinase, putative 0.0198 0.1995 1
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0059 0.0047
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0283 0.3069 0.3038
Echinococcus multilocularis calpain 5 0.0283 0.3069 0.3038
Schistosoma mansoni inositol monophosphatase 0.0045 0.0059 0.0015
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0104 0.0812 0.8468
Echinococcus multilocularis inositol monophosphatase 1 0.0045 0.0059 0.0015
Trichomonas vaginalis Clan CA, family C2, calpain-like cysteine peptidase 0.0085 0.057 0.1799
Trypanosoma cruzi trypanothione reductase, putative 0.0046 0.0073 0.0028
Trypanosoma brucei glucosamine 6-phosphate n-acetyltransferase 0.0085 0.057 0.1735
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0085 0.057 0.1735
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0274 0.2962 1
Trypanosoma brucei Calpain-like protein 1.1 0.0085 0.057 0.1735
Trypanosoma brucei hypothetical protein 0.0085 0.057 0.1735
Trypanosoma brucei calpain, putative 0.0085 0.057 0.1735
Loa Loa (eye worm) calpain 5 0.0198 0.1995 0.1959
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.0073 0.0028
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0085 0.057 0.0527
Schistosoma mansoni hypothetical protein 0.0205 0.2082 0.2046
Trichomonas vaginalis calpain, putative 0.0085 0.057 0.1799
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0085 0.057 0.0527
Trypanosoma cruzi cytoskeleton-associated protein CAP5.5, putative 0.0085 0.057 0.0527
Trichomonas vaginalis inositol monophosphatase, putative 0.0045 0.0059 0.0049
Trichomonas vaginalis calpain, putative 0.0085 0.057 0.1799
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.008 0.0036
Entamoeba histolytica calpain family cysteine protease, putative 0.0085 0.057 0.2693
Echinococcus multilocularis geminin 0.0205 0.2082 0.2046
Leishmania major cytoskeleton-associated protein CAP5.5, putative,cysteine peptidase, Clan CA, family C2, putative 0.0085 0.057 0.1735
Schistosoma mansoni hypothetical protein 0.0348 0.3893 0.3865
Trypanosoma cruzi calpain cysteine peptidase, putative 0.0085 0.057 0.0527
Trichomonas vaginalis Clan CA, family C2, calpain-like cysteine peptidase 0.0085 0.057 0.1799
Leishmania major hypothetical protein, unknown function 0.0085 0.057 0.1735
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0085 0.057 0.1735
Schistosoma mansoni calpain-7 (C02 family) 0.0283 0.3069 0.3038
Plasmodium vivax calpain, putative 0.0283 0.3069 1
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0085 0.057 0.0527
Trypanosoma brucei Calpain-like protein 1.2 0.0085 0.057 0.1735
Loa Loa (eye worm) calpain D 0.0085 0.057 0.0527
Schistosoma mansoni hypothetical protein 0.0205 0.2082 0.2046
Plasmodium vivax thioredoxin reductase, putative 0.0046 0.0073 0.0092
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0104 0.0812 0.2702
Mycobacterium tuberculosis Probable oxidoreductase 0.0116 0.0959 0.3191
Leishmania major trypanothione reductase 0.0046 0.0073 0.0092
Trichomonas vaginalis conserved hypothetical protein 0.0085 0.057 0.1799
Entamoeba histolytica calpain large subunit domain III containing protein 0.0198 0.1995 1
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0085 0.057 0.1735
Trypanosoma brucei calpain-like protein, putative 0.0283 0.3069 1
Leishmania major hypothetical protein, conserved 0.0085 0.057 0.1735
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0283 0.3069 1
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.0045 0.0149
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0283 0.3069 0.3038
Trichomonas vaginalis hypothetical protein 0.0085 0.057 0.1799
Toxoplasma gondii hypothetical protein 0.0085 0.057 0.1799
Loa Loa (eye worm) cathepsin B 0.0274 0.2962 0.293
Schistosoma mansoni hypothetical protein 0.0085 0.057 0.0528
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0085 0.057 0.1735
Loa Loa (eye worm) hypothetical protein 0.075 0.8969 0.8965
Toxoplasma gondii calpain family cysteine protease domain-containing protein 0.0085 0.057 0.1799
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0283 0.3069 0.3038
Giardia lamblia Cathepsin B precursor 0.0274 0.2962 0.5
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.0045 0.0149
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0045 0.0059 0.5
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.008 0.0036
Trypanosoma brucei cytoskeleton-associated protein CAP5.5, putative 0.0085 0.057 0.1735
Echinococcus granulosus family C2 unassigned peptidase C02 family 0.0784 0.9398 0.9396
Leishmania major calpain family cysteine protease-like protein 0.0085 0.057 0.1735
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0085 0.057 0.0527
Echinococcus granulosus geminin 0.0205 0.2082 0.2046
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0085 0.057 0.0527
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.075 0.8969 0.8965
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0085 0.057 0.1735
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0085 0.057 0.0527
Loa Loa (eye worm) calpain family protein 1 0.0552 0.647 0.6454
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0116 0.0959 0.3191
Trichomonas vaginalis Clan CA, family C2, calpain-like cysteine peptidase 0.0085 0.057 0.1799
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0283 0.3069 0.3038
Trichomonas vaginalis Clan CA, family C2, calpain-like cysteine peptidase 0.0085 0.057 0.1799
Brugia malayi calpain 5 0.0198 0.1995 0.1959
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0085 0.057 0.1735
Trypanosoma brucei cysteine peptidase, Clan CA, family C2, putative 0.0085 0.057 0.1735
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0116 0.0959 1
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0085 0.057 0.0527
Trypanosoma brucei Calpain-like protein 2 0.0085 0.057 0.1735
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0116 0.0959 0.3191
Echinococcus multilocularis X box binding protein 1 0.0348 0.3893 0.3865
Trypanosoma brucei calpain, putative 0.0085 0.057 0.1735
Schistosoma mansoni calpain (C02 family) 0.0283 0.3069 0.3038
Brugia malayi calpain 7 0.0283 0.3069 0.3038
Trypanosoma cruzi calpain cysteine peptidase, putative 0.0283 0.3069 0.3038
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0283 0.3069 1
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0085 0.057 0.0527
Loa Loa (eye worm) calpain 0.0283 0.3069 0.3038
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0085 0.057 0.1735
Trichomonas vaginalis calpain, putative 0.0085 0.057 0.1799
Trypanosoma brucei cysteine peptidase C (CPC) 0.0274 0.2962 0.9646
Toxoplasma gondii thioredoxin reductase 0.0046 0.0073 0.0095
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0059 0.0014
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0283 0.3069 0.3038
Schistosoma mansoni inositol monophosphatase 0.0045 0.0059 0.0015
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0784 0.9398 0.9396
Echinococcus granulosus calpain A 0.0784 0.9398 0.9396
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0274 0.2962 0.293
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0104 0.0812 0.2702
Trypanosoma brucei calpain-like protein, putative 0.0283 0.3069 1
Schistosoma mansoni calpain-7 (C02 family) 0.0283 0.3069 0.3038
Trichomonas vaginalis Clan CA, family C2, calpain-like cysteine peptidase 0.0085 0.057 0.1799
Loa Loa (eye worm) glutathione reductase 0.0046 0.0073 0.0028
Loa Loa (eye worm) hypothetical protein 0.0665 0.7895 0.7885
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0085 0.057 0.0527
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0059 0.0047

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 10 uM PUBCHEM_BIOASSAY: XBP1 DR counterscreen for CHOP. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2732, AID493217] ChEMBL. No reference
IC50 (functional) > 10 uM PUBCHEM_BIOASSAY: CHOP dose-response primary assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2732, AID493217] ChEMBL. No reference
Potency (functional) = 3.9811 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) 5.8048 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.8584 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) = 6.3096 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 6.3096 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors: Potentiation with Lithium. (Class of assay: confirmatory) [Related pubchem assays: 901 ] ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 14.581 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.3489 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 18.3564 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Antagonists of the Neuropeptide S Receptor: cAMP Signal Transduction. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 28.1838 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 29.0929 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
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) 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 ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS Assay to Identify Small Molecule Activators of BRCA1 Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 70.7946 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
Homo sapiens 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.

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