Detailed information for compound 896966

Basic information

Technical information
  • TDR Targets ID: 896966
  • Name: 5-(4-tert-butylphenoxy)-1-methyl-3-nitro-1,2, 4-triazole
  • MW: 276.291 | Formula: C13H16N4O3
  • H donors: 0 H acceptors: 4 LogP: 3.7 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cn1nc(nc1Oc1ccc(cc1)C(C)(C)C)[N+](=O)[O-]
  • InChi: 1S/C13H16N4O3/c1-13(2,3)9-5-7-10(8-6-9)20-12-14-11(17(18)19)15-16(12)4/h5-8H,1-4H3
  • InChiKey: HJDFBULFYOIQIU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • EU-0047126
  • ZINC00201634
  • 5-(4-tert-butylphenoxy)-1-methyl-3-nitro-1H-1,2,4-triazole
  • MLS000676778
  • SMR000271784
  • Oprea1_197200

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens corticotropin releasing hormone binding protein No references
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references
Homo sapiens corticotropin releasing hormone receptor 2 No references
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
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
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 Get druggable targets OG5_130760 All targets in OG5_130760
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_130760 All targets in OG5_130760
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative Get druggable targets OG5_130760 All targets in OG5_130760
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
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
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum IPR001879,Hormone receptor, extracellular,domain-containing Get druggable targets OG5_130760 All targets in OG5_130760
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 Get druggable targets OG5_130760 All targets in OG5_130760
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 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
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Loa Loa (eye worm) pigment dispersing factor receptor c corticotropin releasing hormone receptor 2 438 aa 383 aa 26.1 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) glutaminase 2 0.033 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0096 0.243 0.243
Mycobacterium ulcerans glutaminase 0.033 1 0.5
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0096 0.243 0.243
Brugia malayi Papain family cysteine protease containing protein 0.0052 0.0985 0.0985
Giardia lamblia Cathepsin B precursor 0.0064 0.1375 1
Trypanosoma brucei cysteine peptidase C (CPC) 0.0064 0.1375 0.5051
Entamoeba histolytica cysteine protease, putative 0.0052 0.0985 0.4054
Loa Loa (eye worm) hypothetical protein 0.0082 0.1977 0.1977
Brugia malayi Cathepsin L-like precursor 0.0066 0.1445 0.1445
Brugia malayi cathepsin L-like cysteine proteinase, identical 0.003 0.0298 0.0298
Entamoeba histolytica cysteine protease, putative 0.0052 0.0985 0.4054
Brugia malayi Papain family cysteine protease containing protein 0.0096 0.243 0.243
Echinococcus multilocularis cysteine protease 0.0096 0.243 0.284
Brugia malayi Latrophilin receptor protein 2 0.0038 0.0546 0.0546
Trypanosoma cruzi cysteine peptidase, putative 0.0096 0.243 0.5467
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0223 0.6541 0.7644
Loa Loa (eye worm) thioredoxin reductase 0.0057 0.1161 0.1161
Schistosoma mansoni hypothetical protein 0.0082 0.1977 0.1977
Brugia malayi Cathepsin L-like precursor 0.0096 0.243 0.243
Echinococcus multilocularis cysteine protease 0.0096 0.243 0.284
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1101 0.1286
Brugia malayi Muscleblind-like protein 0.018 0.5153 0.5153
Entamoeba histolytica cysteine proteinase, putative 0.0052 0.0985 0.4054
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0096 0.243 0.243
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0096 0.243 0.243
Echinococcus multilocularis cathepsin L 0.0052 0.0985 0.1151
Onchocerca volvulus 0.0096 0.243 0.3442
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0096 0.243 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0052 0.0985 0.0985
Echinococcus granulosus cathepsin l1 0.0096 0.243 0.284
Echinococcus granulosus cathepsin L 0.0052 0.0985 0.1151
Leishmania major cathepsin L-like protease 0.0096 0.243 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0096 0.243 0.243
Entamoeba histolytica cysteine protease, putative 0.0052 0.0985 0.4054
Schistosoma mansoni hypothetical protein 0.0058 0.1198 0.1198
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0159 0.4446 0.4446
Loa Loa (eye worm) hypothetical protein 0.003 0.0298 0.0298
Plasmodium vivax unspecified product 0.003 0.0298 0.1225
Entamoeba histolytica cysteine protease, putative 0.0052 0.0985 0.4054
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1101 0.1101
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0096 0.243 0.243
Loa Loa (eye worm) hypothetical protein 0.0159 0.4446 0.4446
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0298 0.1226
Trypanosoma cruzi trypanothione reductase, putative 0.0057 0.1161 0.2612
Onchocerca volvulus 0.0096 0.243 0.3442
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0159 0.4446 0.4446
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0096 0.243 0.243
Mycobacterium tuberculosis Probable oxidoreductase 0.0145 0.4 1
Onchocerca volvulus 0.0096 0.243 0.3442
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0096 0.243 0.243
Leishmania major cathepsin L-like protease 0.0096 0.243 1
Entamoeba histolytica cysteine protease, putative 0.0052 0.0985 0.4054
Loa Loa (eye worm) cysteine protease 0.0096 0.243 0.243
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0298 0.067
Loa Loa (eye worm) hypothetical protein 0.0066 0.1445 0.1445
Echinococcus granulosus cathepsin l1 0.0066 0.1445 0.1689
Plasmodium vivax vivapain-2 0.0096 0.243 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0298 0.0298
Entamoeba histolytica cysteine protease, putative 0.0052 0.0985 0.4054
Entamoeba histolytica cysteine proteinase, putative 0.0052 0.0985 0.4054
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0096 0.243 0.284
Loa Loa (eye worm) fibroinase 0.0096 0.243 0.243
Schistosoma mansoni survival motor neuron protein 0.0058 0.1198 0.1198
Entamoeba histolytica cysteine proteinase, putative 0.0052 0.0985 0.4054
Onchocerca volvulus 0.0096 0.243 0.3442
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0145 0.4 1
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0298 0.1226
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1101 0.1286
Onchocerca volvulus 0.0096 0.243 0.3442
Entamoeba histolytica cysteine proteinase, putative 0.0096 0.243 1
Loa Loa (eye worm) fli-1 protein 0.024 0.7092 0.7092
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0159 0.4446 0.4446
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0096 0.243 0.243
Toxoplasma gondii cathepsin B 0.0064 0.1375 0.5658
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0052 0.0985 0.3223
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0306 0.9206 0.9206
Brugia malayi Ets-domain containing protein 0.0079 0.1875 0.1875
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0096 0.243 0.243
Brugia malayi Cathepsin L-like precursor 0.0096 0.243 0.243
Schistosoma mansoni hypothetical protein 0.0185 0.5309 0.5309
Entamoeba histolytica cysteine proteinase 1, putative 0.0052 0.0985 0.4054
Echinococcus multilocularis cathepsin L cysteine protease 0.0096 0.243 0.284
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0096 0.243 0.243
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0096 0.243 1
Entamoeba histolytica cysteine proteinase, putative 0.0052 0.0985 0.4054
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0052 0.0985 0.2216
Schistosoma mansoni cathepsin F (C01 family) 0.0066 0.1445 0.1445
Leishmania major trypanothione reductase 0.0057 0.1161 0.4048
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0064 0.1375 0.3093
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.8558 1
Plasmodium vivax vivapain-3 0.0052 0.0985 0.4054
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0096 0.243 0.243
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0052 0.0985 0.0985
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0066 0.1445 0.1445
Brugia malayi Cathepsin L-like precursor 0.0096 0.243 0.243
Brugia malayi hypothetical protein 0.0286 0.8558 0.8558
Leishmania major cathepsin L-like protease 0.0096 0.243 1
Brugia malayi Cathepsin L-like precursor 0.0066 0.1445 0.1445
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.013 0.3529 0.8342
Trypanosoma cruzi cysteine proteinase, putative 0.0052 0.0985 0.2216
Schistosoma mansoni cathepsin F (C01 family) 0.0096 0.243 0.243
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0096 0.243 0.243
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0052 0.0985 0.0985
Plasmodium falciparum thioredoxin reductase 0.0057 0.1161 0.4778
Loa Loa (eye worm) pax transcription factor protein 2 0.0239 0.7062 0.7062
Entamoeba histolytica cysteine protease, putative 0.0052 0.0985 0.4054
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0096 0.243 0.243
Leishmania major cysteine peptidase A (CPA) 0.0096 0.243 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0038 0.0546 0.0546
Entamoeba histolytica cysteine protease, putative 0.0052 0.0985 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0096 0.243 0.243
Leishmania major cathepsin L-like protease 0.0096 0.243 1
Loa Loa (eye worm) hypothetical protein 0.0306 0.9206 0.9206
Entamoeba histolytica cysteine protease, putative 0.0096 0.243 1
Leishmania major cathepsin L-like protease 0.0096 0.243 1
Trypanosoma cruzi cysteine peptidase, putative 0.0052 0.0985 0.2216
Brugia malayi latrophilin 2 splice variant baaae 0.0082 0.1977 0.1977
Echinococcus multilocularis muscleblind protein 1 0.018 0.5153 0.6021
Schistosoma mansoni hypothetical protein 0.0185 0.5309 0.5309
Trypanosoma cruzi cysteine protease, putative 0.0052 0.0985 0.2216
Entamoeba histolytica cysteine proteinase, putative 0.0096 0.243 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0096 0.243 0.243
Schistosoma mansoni ets-related 0.024 0.7092 0.7092
Entamoeba histolytica cysteine proteinase, putative 0.0066 0.1445 0.5946
Mycobacterium tuberculosis Putative ferredoxin reductase 0.013 0.3529 0.8342
Loa Loa (eye worm) latrophilin receptor protein 2 0.0038 0.0546 0.0546
Giardia lamblia Cathepsin B precursor 0.0064 0.1375 1
Echinococcus granulosus cathepsin L cysteine protease 0.0052 0.0985 0.1151
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0096 0.243 0.243
Loa Loa (eye worm) ctsf protein 0.0096 0.243 0.243
Trypanosoma cruzi cysteine peptidase, putative 0.003 0.0298 0.067
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0096 0.243 1
Entamoeba histolytica cysteine protease, putative 0.0052 0.0985 0.4054
Giardia lamblia Cathepsin B precursor 0.0064 0.1375 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0096 0.243 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0096 0.243 0.243
Plasmodium falciparum cysteine proteinase falcipain 1 0.0052 0.0985 0.4054
Entamoeba histolytica cysteine protease, putative 0.0052 0.0985 0.4054
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0052 0.0985 0.3223
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0096 0.243 0.243
Brugia malayi Cathepsin L-like precursor 0.0096 0.243 0.243
Onchocerca volvulus 0.0239 0.7062 1
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0079 0.1875 0.1875
Schistosoma mansoni hypothetical protein 0.0038 0.0546 0.0546
Loa Loa (eye worm) hypothetical protein 0.0066 0.1445 0.1445
Onchocerca volvulus Cathepsin L homolog 0.0096 0.243 0.3442
Leishmania major cathepsin L-like protease 0.0096 0.243 1
Entamoeba histolytica cysteine proteinase 2 0.0052 0.0985 0.4054
Trypanosoma cruzi cruzipain precursor, putative 0.003 0.0298 0.067
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0096 0.243 0.243
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0052 0.0985 0.0985
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0064 0.1375 0.5051
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0096 0.243 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.013 0.3529 0.8342
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0096 0.243 0.243
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0298 0.1226
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.8558 1
Echinococcus multilocularis cathepsin b 0.0159 0.4446 0.5195
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0159 0.4446 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1101 0.1286
Echinococcus granulosus muscleblind protein 0.018 0.5153 0.6021
Plasmodium vivax thioredoxin reductase, putative 0.0057 0.1161 0.4778
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0096 0.243 0.284
Plasmodium vivax unspecified product 0.0052 0.0985 0.4054
Brugia malayi Papain family cysteine protease containing protein 0.0052 0.0985 0.0985
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0096 0.243 1
Brugia malayi Pax transcription factor protein 2 0.0239 0.7062 0.7062
Onchocerca volvulus 0.0096 0.243 0.3442
Echinococcus granulosus geminin 0.0185 0.5309 0.6203
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0096 0.243 1
Onchocerca volvulus 0.0058 0.1198 0.1697
Echinococcus granulosus cathepsin b 0.0159 0.4446 0.5195
Mycobacterium tuberculosis Probable dehydrogenase 0.013 0.3529 0.8342
Loa Loa (eye worm) papain family cysteine protease containing protein 0.003 0.0298 0.0298
Onchocerca volvulus Cathepsin L homolog 0.0096 0.243 0.3442
Echinococcus multilocularis muscleblind protein 0.018 0.5153 0.6021
Loa Loa (eye worm) glutaminase 0.033 1 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0546 0.0546
Toxoplasma gondii cathepsin CPL 0.0096 0.243 1
Schistosoma mansoni glutaminase 0.033 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0096 0.243 1
Echinococcus granulosus GA binding protein alpha chain 0.0079 0.1875 0.2191
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0096 0.243 0.243
Plasmodium falciparum glutathione reductase 0.0057 0.1161 0.4778
Plasmodium vivax vivapain-2 0.0096 0.243 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0057 0.1161 0.1357
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.013 0.3529 0.8342
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0096 0.243 0.243
Brugia malayi cathepsin F-like cysteine proteinase 0.003 0.0298 0.0298
Brugia malayi cathepsin L-like precursor 0.0066 0.1445 0.1445
Brugia malayi hypothetical protein 0.003 0.0298 0.0298
Echinococcus granulosus cathepsin b 0.0159 0.4446 0.5195
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0066 0.1445 0.325
Loa Loa (eye worm) hypothetical protein 0.0066 0.1445 0.1445
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0096 0.243 0.243
Schistosoma mansoni hypothetical protein 0.0038 0.0546 0.0546
Plasmodium falciparum cysteine proteinase falcipain 3 0.0096 0.243 1
Echinococcus granulosus cysteine protease 0.0052 0.0985 0.1151
Trypanosoma cruzi cysteine proteinase, putative 0.0052 0.0985 0.2216
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0159 0.4446 0.4446
Loa Loa (eye worm) hypothetical protein 0.018 0.5153 0.5153
Trypanosoma cruzi cysteine peptidase, putative 0.0096 0.243 0.5467
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1101 0.1286
Leishmania major cathepsin L-like protease 0.0096 0.243 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0066 0.1445 0.1445
Echinococcus multilocularis cathepsin L cysteine protease 0.0096 0.243 0.284
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.1101 0.1101
Loa Loa (eye worm) glutathione reductase 0.0057 0.1161 0.1161
Toxoplasma gondii thioredoxin reductase 0.0057 0.1161 0.4778
Onchocerca volvulus 0.0066 0.1445 0.2046
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0038 0.0546 0.0638
Plasmodium vivax glutathione reductase, putative 0.0057 0.1161 0.4778
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0223 0.6541 0.7644
Brugia malayi Calcitonin receptor-like protein seb-1 0.012 0.321 0.321
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0096 0.243 1
Entamoeba histolytica cysteine protease, putative 0.0052 0.0985 0.4054
Loa Loa (eye worm) hypothetical protein 0.0096 0.243 0.243
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0064 0.1375 0.1375
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0052 0.0985 0.0985
Schistosoma mansoni cathepsin F (C01 family) 0.0096 0.243 0.243
Brugia malayi cathepsin B-like cysteine proteinase 0.0159 0.4446 0.4446
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0096 0.243 0.243
Schistosoma mansoni cathepsin s 0.003 0.0298 0.0298
Echinococcus multilocularis cathepsin b 0.0159 0.4446 0.5195
Echinococcus granulosus GPCR family 2 0.0038 0.0546 0.0638
Leishmania major cathepsin L-like protease 0.0096 0.243 1
Loa Loa (eye worm) hypothetical protein 0.0068 0.1503 0.1503
Trichomonas vaginalis glutaminase, putative 0.033 1 1
Brugia malayi glutathione reductase 0.0057 0.1161 0.1161
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0298 0.1226
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0298 0.067
Mycobacterium tuberculosis Probable reductase 0.013 0.3529 0.8342
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0038 0.0546 0.0638
Trypanosoma cruzi cysteine peptidase, putative 0.0096 0.243 0.5467
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0145 0.4 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0096 0.243 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0096 0.243 0.243
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0096 0.243 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1101 0.1101
Echinococcus multilocularis GPCR, family 2 0.0038 0.0546 0.0638
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.1101 0.1101
Loa Loa (eye worm) hypothetical protein 0.003 0.0298 0.0298
Echinococcus multilocularis thioredoxin glutathione reductase 0.0057 0.1161 0.1357
Schistosoma mansoni hypothetical protein 0.0038 0.0546 0.0546
Brugia malayi Thioredoxin reductase 0.0057 0.1161 0.1161
Trypanosoma brucei trypanothione reductase 0.0057 0.1161 0.4048
Loa Loa (eye worm) hypothetical protein 0.003 0.0298 0.0298
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.1198 0.1198
Brugia malayi Cathepsin L-like cysteine proteinase 0.0066 0.1445 0.1445
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0096 0.243 1
Loa Loa (eye worm) cathepsin B 0.0064 0.1375 0.1375
Echinococcus multilocularis GA binding protein alpha chain 0.0079 0.1875 0.2191
Plasmodium vivax vivapain-1 0.0052 0.0985 0.4054
Brugia malayi Cathepsin L-like precursor 0.0096 0.243 0.243
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0096 0.243 0.243
Onchocerca volvulus 0.0096 0.243 0.3442
Brugia malayi Fli-1 protein 0.024 0.7092 0.7092
Trypanosoma cruzi cruzipain precursor, putative 0.0096 0.243 0.5467
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0064 0.1375 0.1375
Entamoeba histolytica cysteine protease, putative 0.0052 0.0985 0.4054
Schistosoma mansoni gabp alpha 0.0079 0.1875 0.1875
Schistosoma mansoni hypothetical protein 0.0038 0.0546 0.0546
Echinococcus multilocularis geminin 0.0185 0.5309 0.6203
Loa Loa (eye worm) pigment dispersing factor receptor c 0.012 0.321 0.321
Onchocerca volvulus Cathepsin F homolog 0.0096 0.243 0.3442
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0145 0.4 1
Loa Loa (eye worm) hypothetical protein 0.018 0.5153 0.5153
Entamoeba histolytica cysteine protease, putative 0.0052 0.0985 0.4054
Brugia malayi Cathepsin L-like precursor 0.003 0.0298 0.0298
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0096 0.243 1
Echinococcus granulosus cathepsin l cysteine peptidase 0.0096 0.243 0.284
Loa Loa (eye worm) hypothetical protein 0.0286 0.8558 0.8558
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1101 0.1101
Brugia malayi Cathepsin L-like precursor 0.0096 0.243 0.243
Echinococcus granulosus cathepsin L cysteine proteinase 0.0096 0.243 0.284
Brugia malayi Ets-domain containing protein 0.0079 0.1875 0.1875
Trypanosoma cruzi cysteine peptidase, putative 0.0096 0.243 0.5467

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) > 53 uM PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits for small molecule agonists of the CRF-binding protein and CRF-R2 receptor complex. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) = 12.7 uM PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits for small molecule antagonists of the CRF-binding protein and CRF-R2 receptor complex. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.4467 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.2589 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) 4.6109 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) 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) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) 19.9526 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 29.0929 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) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (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 of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
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.