Detailed information for compound 799220

Basic information

Technical information
  • TDR Targets ID: 799220
  • Name: 4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]a niline
  • MW: 241.212 | Formula: C11H10F3N3
  • H donors: 1 H acceptors: 1 LogP: 2.53 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Nc1ccc(cc1)n1nc(cc1C(F)(F)F)C
  • InChi: 1S/C11H10F3N3/c1-7-6-10(11(12,13)14)17(16-7)9-4-2-8(15)3-5-9/h2-6H,15H2,1H3
  • InChiKey: PXGORNNIVKDFSH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-[3-methyl-5-(trifluoromethyl)-1-pyrazolyl]aniline
  • [4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]amine
  • ZERO/005150
  • ZINC00117158
  • 4-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]aniline
  • MLS000728917
  • SMR000307195

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Equus caballus Ferritin light chain Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 142 aa 29.6 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 146 aa 28.8 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 43.9 %
Echinococcus multilocularis expressed protein Ferritin light chain   175 aa 146 aa 30.1 %
Echinococcus granulosus expressed protein Ferritin light chain   175 aa 146 aa 28.8 %
Schistosoma japonicum Ferritin, putative Ferritin light chain   175 aa 144 aa 24.3 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 44.4 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis GPCR, family 2 0.0017 0.0075 0.0075
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0011 0.0007 0.0007
Echinococcus granulosus ubiquitin specific protease 41 0.0037 0.0287 0.0287
Brugia malayi hypothetical protein 0.0053 0.0446 0.0527
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0144 0.1394 0.1394
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0114 0.1089 1
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0018 0.0084 0.0708
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0037 0.0287 0.0287
Trichomonas vaginalis DNA helicase recq, putative 0.0026 0.0163 0.0554
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0144 0.1394 0.1394
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0043 0.0341 0.1174
Loa Loa (eye worm) kap beta 3 protein 0.0017 0.0077 0.0077
Onchocerca volvulus 0.0466 0.4748 0.561
Brugia malayi beta-lactamase family protein 0.0036 0.0277 0.0327
Brugia malayi hypothetical protein 0.0466 0.4748 0.561
Trichomonas vaginalis conserved hypothetical protein 0.0018 0.0084 0.0278
Trypanosoma brucei PAB1-binding protein , putative 0.0053 0.0446 0.3874
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0037 0.0287 0.2357
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0067 0.0594 0.6744
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0036 0.0277 0.5115
Schistosoma mansoni ferritin 0.001 0.0004 0.0004
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0011 0.0007 0.0007
Brugia malayi Latrophilin receptor protein 2 0.0017 0.0075 0.0089
Trichomonas vaginalis hypothetical protein 0.0017 0.0077 0.0252
Loa Loa (eye worm) jmjC domain-containing protein 0.0018 0.0082 0.0082
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative 0.008 0.0733 0.6606
Brugia malayi jmjC domain containing protein 0.0018 0.0082 0.0097
Leishmania major glycosyl hydrolase-like protein 0.0043 0.0341 0.2876
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0018 0.0084 0.0278
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.0018 0.0082 0.0694
Schistosoma mansoni apoferritin-2 0.001 0.0004 0.0004
Schistosoma mansoni phd/f-box containing protein 0.0018 0.0082 0.0082
Loa Loa (eye worm) hypothetical protein 0.0018 0.0082 0.0082
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0067 0.059 0.059
Echinococcus multilocularis caspase 3, apoptosis cysteine peptidase 0.0018 0.0084 0.0084
Trichomonas vaginalis sucrase-isomaltase, putative 0.0114 0.1089 0.3778
Loa Loa (eye worm) jmjC domain-containing protein 0.0018 0.0082 0.0082
Leishmania major importin beta-1 subunit, putative 0.0074 0.0665 0.596
Brugia malayi Cell death protein 3 precursor 0.006 0.0518 0.0612
Brugia malayi Glycosyl hydrolases family 31 protein 0.0114 0.1089 0.1287
Mycobacterium ulcerans hypothetical protein 0.0036 0.0277 0.5115
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0018 0.0084 0.0278
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0043 0.0341 0.2876
Mycobacterium tuberculosis Conserved protein 0.0036 0.0277 0.1177
Loa Loa (eye worm) runx1 0.0058 0.0506 0.0506
Loa Loa (eye worm) hypothetical protein 0.0054 0.0458 0.0458
Trichomonas vaginalis maltase-glucoamylase, putative 0.0114 0.1089 0.3778
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0037 0.0287 0.0985
Trypanosoma brucei glycosyl hydrolase-like protein 0.0043 0.0341 0.2876
Schistosoma mansoni vesicular acetylcholine transporter 0.0823 0.8463 0.8463
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.2514 0.2514
Echinococcus granulosus translational activator gcn1 0.0017 0.0077 0.0077
Loa Loa (eye worm) hypothetical protein 0.0042 0.0331 0.0331
Schistosoma mansoni caspase-3 (C14 family) 0.0018 0.0084 0.0084
Brugia malayi hypothetical protein 0.0034 0.0252 0.0298
Mycobacterium tuberculosis Probable hydrolase 0.0036 0.0277 0.1177
Echinococcus multilocularis neutral alpha glucosidase AB 0.0114 0.1089 0.1089
Brugia malayi Pre-SET motif family protein 0.0036 0.0273 0.0323
Schistosoma mansoni lozenge 0.0058 0.0506 0.0506
Echinococcus granulosus geminin 0.0178 0.1753 0.1753
Echinococcus multilocularis expressed protein 0.001 0.0004 0.0004
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0067 0.059 0.059
Leishmania major metacaspase, putative 0.0018 0.0084 0.0423
Schistosoma mansoni subfamily C14A unassigned peptidase (C14 family) 0.0018 0.0084 0.0084
Schistosoma mansoni ferritin 0.001 0.0004 0.0004
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0061 0.0537 0.0537
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0017 0.0075 0.0089
Echinococcus granulosus lysine specific demethylase 6a 0.0018 0.0082 0.0082
Toxoplasma gondii HEAT repeat-containing protein 0.0091 0.0844 0.7736
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0144 0.1394 0.1394
Leishmania major hypothetical protein, conserved 0.0018 0.0082 0.0408
Brugia malayi Glycosyl hydrolases family 31 protein 0.0043 0.0341 0.0403
Loa Loa (eye worm) jmjC domain-containing protein 0.0018 0.0082 0.0082
Plasmodium falciparum importin beta, putative 0.0091 0.0844 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.0277 0.0277
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0273 0.0273
Trichomonas vaginalis esterase, putative 0.0036 0.0277 0.0949
Trichomonas vaginalis DNA helicase recq, putative 0.0014 0.004 0.0123
Brugia malayi Calcitonin receptor-like protein seb-1 0.0054 0.0458 0.0541
Loa Loa (eye worm) hypothetical protein 0.0466 0.4748 0.4748
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0277 0.0277
Schistosoma mansoni phosphatidylserine receptor 0.0018 0.0082 0.0082
Onchocerca volvulus 0.0036 0.0273 0.0323
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0037 0.0287 0.2357
Schistosoma mansoni ferritin light chain 0.001 0.0004 0.0004
Trichomonas vaginalis conserved hypothetical protein 0.0018 0.0084 0.0278
Trichomonas vaginalis alpha-glucosidase, putative 0.0114 0.1089 0.3778
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0277 0.0949
Schistosoma mansoni ran 0.0067 0.0594 0.0594
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0018 0.0084 0.0278
Onchocerca volvulus 0.0286 0.2875 0.3397
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0277 0.0949
Loa Loa (eye worm) hypothetical protein 0.0011 0.0007 0.0007
Echinococcus granulosus apoptotic protease activating factor 1 0.0042 0.0331 0.0331
Schistosoma mansoni ferritin light chain 0.001 0.0004 0.0004
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0144 0.1394 0.1647
Echinococcus multilocularis lysine specific demethylase 5A 0.0067 0.059 0.059
Echinococcus multilocularis lysosomal alpha glucosidase 0.0516 0.5266 0.5266
Onchocerca volvulus Cell death protein 3 homolog 0.006 0.0518 0.0612
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0011 0.0007 0.0009
Loa Loa (eye worm) hypothetical protein 0.0036 0.0277 0.0277
Leishmania major hypothetical protein, conserved 0.0017 0.0077 0.0353
Leishmania major hypothetical protein, conserved 0.0053 0.0446 0.3874
Loa Loa (eye worm) hypothetical protein 0.0466 0.4748 0.4748
Echinococcus granulosus importin subunit beta 1 0.0091 0.0844 0.0844
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.0537 0.0537
Loa Loa (eye worm) beta-lactamase 0.0036 0.0277 0.0277
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0037 0.0287 0.0287
Trypanosoma brucei metacaspase MCA3 0.0018 0.0084 0.0423
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0054 0.0458 0.0458
Plasmodium vivax importin-beta 2, putative 0.0091 0.0844 1
Onchocerca volvulus 0.0042 0.0331 0.0392
Loa Loa (eye worm) hypothetical protein 0.0091 0.0844 0.0844
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0018 0.0082 0.0082
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0277 0.0327
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0061 0.0537 0.0537
Schistosoma mansoni hypothetical protein 0.0024 0.0144 0.0144
Plasmodium vivax SET domain protein, putative 0.0036 0.0273 0.2557
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0114 0.1089 0.3778
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0018 0.0084 0.0278
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0018 0.0082 0.0082
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.0537 1
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0037 0.0287 0.2357
Schistosoma mansoni jumonji/arid domain-containing protein 0.0067 0.059 0.059
Trichomonas vaginalis alpha-glucosidase, putative 0.0114 0.1089 0.3778
Echinococcus multilocularis geminin 0.0178 0.1753 0.1753
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0067 0.0594 0.7014
Wolbachia endosymbiont of Brugia malayi bacterioferritin/cytochrome b1 0.001 0.0004 0.5
Trichomonas vaginalis alpha-glucosidase, putative 0.0043 0.0341 0.1174
Trypanosoma brucei glucosidase, putative 0.0114 0.1089 1
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0067 0.0594 1
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0011 0.0007 0.0007
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0018 0.0084 0.0708
Schistosoma mansoni hypothetical protein 0.0042 0.0331 0.0331
Echinococcus granulosus lysine specific demethylase 5A 0.0067 0.059 0.059
Loa Loa (eye worm) importin-beta domain-containing protein 0.0017 0.0077 0.0077
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0037 0.0287 0.2357
Trichomonas vaginalis importin beta-1, putative 0.0074 0.0665 0.2302
Trypanosoma brucei importin beta-1 subunit, putative 0.0091 0.0844 0.7666
Plasmodium falciparum metacaspase-like protein 0.0018 0.0084 0.0916
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0067 0.0594 0.5285
Entamoeba histolytica Ran family GTPase 0.0067 0.0594 0.5285
Echinococcus granulosus caspase 3 apoptosis cysteine peptidase 0.0018 0.0084 0.0084
Brugia malayi MH2 domain containing protein 0.0127 0.1219 0.144
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.0537 0.0537
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0259 0.0259
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0043 0.0341 0.2876
Schistosoma mansoni hypothetical protein 0.0017 0.0075 0.0075
Echinococcus multilocularis importin 5 0.0017 0.0077 0.0077
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0043 0.0341 0.1174
Trypanosoma cruzi importin beta-1 subunit, putative 0.0074 0.0665 0.596
Mycobacterium tuberculosis Conserved protein 0.0036 0.0277 0.1177
Trichomonas vaginalis ran, putative 0.0067 0.0594 0.2055
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0273 0.0273
Brugia malayi jmjC domain containing protein 0.0018 0.0082 0.0097
Trypanosoma brucei metacaspase MCA2 0.0018 0.0084 0.0423
Trypanosoma cruzi metacaspase, putative 0.0018 0.0084 0.0423
Loa Loa (eye worm) hypothetical protein 0.0018 0.0082 0.0082
Trypanosoma brucei importin beta-1 subunit, putative 0.0091 0.0844 0.7666
Entamoeba histolytica hypothetical protein 0.0074 0.0665 0.596
Plasmodium falciparum transportin 0.0017 0.0077 0.0829
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0273 0.0273
Echinococcus multilocularis caspase 2 0.006 0.0518 0.0518
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0011 0.0007 0.00000000046164
Schistosoma mansoni hypothetical protein 0.0017 0.0075 0.0075
Trichomonas vaginalis conserved hypothetical protein 0.0018 0.0084 0.0278
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0054 0.0458 0.0541
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0277 0.2259
Schistosoma mansoni hypothetical protein 0.0017 0.0075 0.0075
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0018 0.0084 0.0278
Mycobacterium tuberculosis Probable lipase LipE 0.0036 0.0277 0.1177
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0273 0.0273
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0018 0.0082 0.0082
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0862 0.8869 0.8869
Mycobacterium leprae conserved hypothetical protein 0.0036 0.0277 1
Schistosoma mansoni DNA helicase recq5 0.0011 0.0007 0.0007
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0037 0.0287 0.0339
Brugia malayi kap beta 3 protein 0.0017 0.0077 0.0091
Echinococcus granulosus caspase 0.0018 0.0084 0.0084
Loa Loa (eye worm) hypothetical protein 0.0036 0.0277 0.0277
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.0018 0.0082 0.0408
Brugia malayi latrophilin 2 splice variant baaae 0.0037 0.028 0.0331
Leishmania major hypothetical protein, conserved 0.0036 0.0277 0.2259
Trypanosoma cruzi hypothetical protein, conserved 0.0114 0.1089 1
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0114 0.1089 1
Schistosoma mansoni hypothetical protein 0.0971 1 1
Echinococcus granulosus caspase 8 0.0018 0.0084 0.0084
Echinococcus granulosus bloom syndrome protein 0.0026 0.0163 0.0163
Brugia malayi beta-lactamase family protein 0.0036 0.0277 0.0327
Loa Loa (eye worm) hypothetical protein 0.0037 0.0287 0.0287
Mycobacterium leprae Probable lipase LipE 0.0036 0.0277 1
Schistosoma mansoni ferritin 0.001 0.0004 0.0004
Brugia malayi RNA, U transporter 1 0.0259 0.2589 0.3059
Schistosoma mansoni hypothetical protein 0.0037 0.028 0.028
Brugia malayi jmjC domain containing protein 0.0067 0.059 0.0698
Schistosoma mansoni protein phosphatase 2C 0.0018 0.0082 0.0082
Loa Loa (eye worm) hypothetical protein 0.0128 0.1235 0.1235
Trichomonas vaginalis set domain proteins, putative 0.0286 0.2875 1
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0067 0.0594 0.0594
Loa Loa (eye worm) hypothetical protein 0.0017 0.0075 0.0075
Plasmodium vivax hypothetical protein, conserved 0.0018 0.0084 0.0095
Plasmodium vivax hypothetical protein, conserved 0.0036 0.0277 0.2606
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0144 0.1394 0.1394
Schistosoma mansoni alpha-glucosidase 0.0444 0.4519 0.4519
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0017 0.0075 0.0627
Plasmodium falciparum metacaspase 1 0.0018 0.0084 0.0916
Trichomonas vaginalis conserved hypothetical protein 0.0018 0.0084 0.0278
Trypanosoma brucei Importin-beta N-terminal domain/HEAT-like repeat, putative 0.0017 0.0077 0.0353
Loa Loa (eye worm) MH2 domain-containing protein 0.0127 0.1219 0.1219
Echinococcus granulosus JmjC domain containing protein 4 0.0018 0.0082 0.0082
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0067 0.0594 0.0702
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0067 0.0594 0.5285
Echinococcus granulosus vesicular acetylcholine transporter 0.0823 0.8463 0.8463
Brugia malayi Pre-SET motif family protein 0.0251 0.2514 0.297
Trichomonas vaginalis alpha-glucosidase, putative 0.0114 0.1089 0.3778
Loa Loa (eye worm) hypothetical protein 0.0053 0.0446 0.0446
Trypanosoma brucei Metacaspase-4 0.0018 0.0084 0.0423
Onchocerca volvulus 0.0298 0.3003 0.3548
Trypanosoma brucei metacaspase 0.0018 0.0084 0.0423
Onchocerca volvulus 0.0036 0.0277 0.0327
Schistosoma mansoni hypothetical protein 0.0178 0.1753 0.1753
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0018 0.0084 0.0278
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0024 0.0144 0.0144
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0022 0.0131 0.1478
Echinococcus granulosus importin 5 0.0017 0.0077 0.0077
Schistosoma mansoni jumonji domain containing protein 0.0018 0.0082 0.0082
Mycobacterium ulcerans beta-lactamase 0.0036 0.0277 0.5115
Loa Loa (eye worm) vesicular acetylcholine transporter unc-17 0.0823 0.8463 0.8463
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0277 0.0949
Mycobacterium tuberculosis Probable esterase LipL 0.0036 0.0277 0.1177
Loa Loa (eye worm) latrophilin receptor protein 2 0.0017 0.0075 0.0075
Echinococcus multilocularis vesicular acetylcholine transporter 0.0823 0.8463 0.8463
Trypanosoma cruzi metacaspase, putative 0.0018 0.0084 0.0423
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0144 0.1394 0.1394
Plasmodium falciparum JmjC domain-containing protein, putative 0.0018 0.0082 0.0897
Echinococcus multilocularis translational activator gcn1 0.0017 0.0077 0.0077
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0114 0.1089 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0114 0.1089 0.3778
Echinococcus granulosus lysosomal alpha glucosidase 0.0516 0.5266 0.5266
Echinococcus granulosus GPCR family 2 0.0017 0.0075 0.0075
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0273 0.0273
Echinococcus multilocularis caspase 0.0018 0.0084 0.0084
Echinococcus multilocularis phd:f box containing protein 0.0018 0.0082 0.0082
Onchocerca volvulus Uncharacterized family 31 glucosidase KIAA1161 homolog 0.0043 0.0341 0.0403
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0114 0.1089 0.3778
Brugia malayi mucosa associated lymphoid tissue lymphoma translocation protein 1 0.0018 0.0084 0.0099
Trypanosoma cruzi metacaspase, putative 0.0018 0.0084 0.0423
Schistosoma mansoni ferritin 0.001 0.0004 0.0004
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0018 0.0082 0.0408
Schistosoma mansoni blooms syndrome DNA helicase 0.002 0.0108 0.0108
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0036 0.0277 0.1177
Leishmania major GTP-binding protein, putative 0.0067 0.0594 0.5285
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0024 0.0144 0.0144
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0037 0.0287 0.0287
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0061 0.0537 0.2301
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0273 0.0273
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0971 1 1
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative 0.008 0.0733 0.6606
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0018 0.0084 0.0278
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0018 0.0084 0.0278
Trypanosoma brucei ULK family serine/threonine-protein kinase, putative 0.0017 0.0077 0.0353
Echinococcus multilocularis ubiquitin specific protease 41 0.0037 0.0287 0.0287
Mycobacterium tuberculosis Conserved protein 0.0036 0.0277 0.1177
Entamoeba histolytica HEAT repeat domain containing protein 0.0017 0.0077 0.0353
Echinococcus multilocularis Protein lozenge 0.0058 0.0506 0.0506
Brugia malayi Bloom's syndrome protein homolog 0.0026 0.0163 0.0193
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0011 0.0007 0.0007
Echinococcus multilocularis JmjC domain containing protein 4 0.0018 0.0082 0.0082
Schistosoma mansoni caspase-7 (C14 family) 0.0018 0.0084 0.0084
Loa Loa (eye worm) hypothetical protein 0.0036 0.0277 0.0277
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0037 0.0287 0.0985
Schistosoma mansoni hypothetical protein 0.0178 0.1753 0.1753
Echinococcus multilocularis lysine specific demethylase 6a 0.0018 0.0082 0.0082
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0277 0.0277
Loa Loa (eye worm) hypothetical protein 0.0036 0.0277 0.0277
Loa Loa (eye worm) hypothetical protein 0.0036 0.0277 0.0277
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0277 0.0949
Toxoplasma gondii HEAT repeat-containing protein 0.0017 0.0077 0.0641
Echinococcus granulosus transportin 1 0.0017 0.0077 0.0077
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0017 0.0075 0.0075
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0277 0.0277
Echinococcus multilocularis caspase 8 0.0018 0.0084 0.0084
Plasmodium vivax metacaspase 1, putative 0.0018 0.0084 0.0095
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0037 0.0287 0.0287
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0277 0.0949
Mycobacterium tuberculosis Probable lipase LipD 0.0036 0.0277 0.1177
Loa Loa (eye worm) hypothetical protein 0.008 0.0733 0.0733
Brugia malayi Importin beta-1 subunit 0.0091 0.0844 0.0997
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0037 0.0287 0.2357
Trichomonas vaginalis alpha-glucosidase, putative 0.0043 0.0341 0.1174
Plasmodium falciparum ataxin-2 like protein, putative 0.0053 0.0446 0.5244
Trypanosoma brucei metacaspase 5, putative 0.0018 0.0084 0.0423
Trypanosoma cruzi metacaspase 5, putative 0.0018 0.0084 0.0423
Schistosoma mansoni importin-beta 2 0.0017 0.0077 0.0077
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.0537 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0516 0.5266 0.5266
Echinococcus granulosus ferritin 0.001 0.0004 0.0004
Echinococcus granulosus expressed protein 0.001 0.0004 0.0004
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0018 0.0084 0.0708
Toxoplasma gondii aldehyde dehydrogenase 0.0061 0.0537 0.4896
Plasmodium vivax JmjC domain containing protein 0.0018 0.0082 0.0074
Trichomonas vaginalis conserved hypothetical protein 0.0018 0.0084 0.0278
Echinococcus granulosus caspase 2 0.006 0.0518 0.0518
Schistosoma mansoni jumonji domain containing protein 0.0067 0.059 0.059
Echinococcus multilocularis ferritin 0.001 0.0004 0.0004
Plasmodium falciparum ataxin-2 like protein, putative 0.0053 0.0446 0.5244
Trypanosoma cruzi metacaspase, putative 0.0018 0.0084 0.0423
Loa Loa (eye worm) jmjC domain-containing protein 0.0067 0.059 0.059
Echinococcus multilocularis apoptotic protease activating factor 1 0.0042 0.0331 0.0331
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0036 0.0277 0.1177
Loa Loa (eye worm) RecQ helicase 0.0026 0.0163 0.0163
Echinococcus granulosus phd:f box containing protein 0.0018 0.0082 0.0082
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.0537 1
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0011 0.0007 0.0009
Brugia malayi jmjC domain containing protein 0.0018 0.0082 0.0097
Brugia malayi jmjC domain containing protein 0.0067 0.059 0.0698
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0011 0.0007 0.0007
Toxoplasma gondii LsmAD domain-containing protein 0.0053 0.0446 0.4056
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0037 0.0287 0.0287
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0277 0.2259
Echinococcus granulosus GTP binding nuclear protein Ran 0.0067 0.0594 0.0594
Loa Loa (eye worm) hypothetical protein 0.0037 0.028 0.028
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0017 0.0075 0.0075
Schistosoma mansoni hypothetical protein 0.0017 0.0075 0.0075
Brugia malayi vesicular acetylcholine transporter unc-17 0.0823 0.8463 1
Trypanosoma cruzi metacaspase 5, putative 0.0018 0.0084 0.0423
Loa Loa (eye worm) hypothetical protein 0.006 0.0518 0.0518
Loa Loa (eye worm) hypothetical protein 0.0036 0.0273 0.0273
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0017 0.0077 0.0008
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0043 0.0341 0.2876
Toxoplasma gondii HEAT repeat-containing protein 0.0017 0.0077 0.0641
Echinococcus multilocularis jumonji domain containing 1A 0.0018 0.0082 0.0082
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0018 0.0084 0.0278
Onchocerca volvulus 0.0036 0.0277 0.0327
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0233 0.2319 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0114 0.1089 0.3778
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0114 0.1089 0.1089
Trichomonas vaginalis alpha-glucosidase, putative 0.0043 0.0341 0.1174
Echinococcus multilocularis bloom syndrome protein 0.0026 0.0163 0.0163
Mycobacterium ulcerans lipase LipD 0.0036 0.0277 0.5115
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0273 0.0273
Echinococcus multilocularis importin subunit beta 1 0.0091 0.0844 0.0844
Brugia malayi beta-lactamase 0.0036 0.0277 0.0327
Schistosoma mansoni apoferritin-2 0.001 0.0004 0.0004
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0037 0.0287 0.4765
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0074 0.0665 0.2302
Echinococcus granulosus jumonji domain containing 1A 0.0018 0.0082 0.0082
Trichomonas vaginalis maltase-glucoamylase, putative 0.0043 0.0341 0.1174
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0144 0.1394 0.1394
Echinococcus multilocularis transportin 1 0.0017 0.0077 0.0077
Treponema pallidum bacterioferrin (TpF1) 0.001 0.0004 0.5
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0067 0.0594 0.5285
Schistosoma mansoni alpha-glucosidase 0.0444 0.4519 0.4519
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0074 0.0665 0.2302
Loa Loa (eye worm) hypothetical protein 0.0043 0.0341 0.0341
Trichomonas vaginalis DNA helicase recq1, putative 0.0026 0.0163 0.0554
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0273 0.2455
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0017 0.0075 0.0075
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0017 0.0075 0.0075
Plasmodium vivax ataxin-2 like protein, putative 0.0053 0.0446 0.4814
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0144 0.1394 0.1394
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0067 0.0594 0.0594
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.0277 0.2259
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0061 0.0537 0.4739
Loa Loa (eye worm) hypothetical protein 0.0018 0.0082 0.0082
Brugia malayi Glycosyl hydrolases family 31 protein 0.0516 0.5266 0.6223
Mycobacterium ulcerans esterase/lipase LipP 0.0036 0.0277 0.5115
Trypanosoma cruzi PAB1-binding protein , putative 0.0053 0.0446 0.3874
Onchocerca volvulus Vesicular acetylcholine transporter homolog 0.0823 0.8463 1
Schistosoma mansoni importin beta-1 0.0091 0.0844 0.0844
Trichomonas vaginalis alpha-glucosidase, putative 0.0043 0.0341 0.1174
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0018 0.0082 0.0408
Trichomonas vaginalis alpha-glucosidase, putative 0.0043 0.0341 0.1174
Toxoplasma gondii ABC1 family protein 0.0036 0.0277 0.249
Schistosoma mansoni jumonji/arid domain-containing protein 0.0067 0.059 0.059
Onchocerca volvulus 0.0036 0.0277 0.0327
Echinococcus granulosus neutral alpha glucosidase AB 0.0114 0.1089 0.1089
Trichomonas vaginalis conserved hypothetical protein 0.0037 0.0287 0.0985
Schistosoma mansoni caspase-7 (C14 family) 0.006 0.0518 0.0518
Loa Loa (eye worm) hypothetical protein 0.0018 0.0084 0.0084
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0516 0.5266 0.5266
Loa Loa (eye worm) hypothetical protein 0.0036 0.0277 0.0277
Brugia malayi jmjC domain containing protein 0.0018 0.0082 0.0097
Schistosoma mansoni ran 0.0067 0.0594 0.0594
Loa Loa (eye worm) transcription factor SMAD2 0.0127 0.1219 0.1219
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0067 0.0594 0.5426
Trichomonas vaginalis conserved hypothetical protein 0.0018 0.0084 0.0278
Echinococcus multilocularis snurportin 1 0.0971 1 1
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0036 0.0277 0.1177
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0037 0.0287 0.0287
Leishmania major alpha glucosidase II subunit, putative 0.0114 0.1089 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0053 0.0446 0.3874
Toxoplasma gondii histone lysine demethylase JMJD6a 0.0018 0.0082 0.0694
Schistosoma mansoni alpha glucosidase 0.0114 0.1089 0.1089
Brugia malayi hypothetical protein 0.0042 0.0331 0.0392
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0144 0.1394 0.1394
Schistosoma mansoni DNA helicase recq1 0.0011 0.0007 0.0007
Trypanosoma cruzi hypothetical protein, conserved 0.0114 0.1089 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.0277 0.0277

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.7079 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 (binding) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 17.7828 uM PUBCHEM_BIOASSAY: Confirmation Assay for Identification of Novel General Anesthetics. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2323, AID2385, AID485281] ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 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) 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

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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