Detailed information for compound 1458960

Basic information

Technical information
  • TDR Targets ID: 1458960
  • Name: 2-amino-4,5-dimethylthiophene-3-carbonitrile
  • MW: 152.217 | Formula: C7H8N2S
  • H donors: 1 H acceptors: 1 LogP: 2.29 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1c(N)sc(c1C)C
  • InChi: 1S/C7H8N2S/c1-4-5(2)10-7(9)6(4)3-8/h9H2,1-2H3
  • InChiKey: DTDMOFLHHZZNFB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-amino-4,5-dimethyl-thiophene-3-carbonitrile
  • 2-amino-4,5-dimethyl-3-thiophenecarbonitrile
  • 4651-94-9
  • AK-968/37166328
  • EU-0034176
  • MLS000388798
  • SMR000254971
  • ZINC04043886
  • NSC153327
  • SBB015602

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Bacillus subtilis (strain 168) ATP-dependent Clp protease proteolytic subunit Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) Get druggable targets OG5_127187 All targets in OG5_127187
Brugia malayi Probable ClpP-like protease Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus granulosus peptidase Clp S14 family Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) Get druggable targets OG5_127187 All targets in OG5_127187
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein Get druggable targets OG5_127187 All targets in OG5_127187
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma mansoni peptidase Clp (S14 family) Get druggable targets OG5_127187 All targets in OG5_127187
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Plasmodium berghei ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma japonicum ko:K06275 parvin, putative Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) Get druggable targets OG5_127187 All targets in OG5_127187
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma japonicum ko:K01358 ATP-dependent Clp protease, protease subunit [EC3.4.21.92], putative Get druggable targets OG5_127187 All targets in OG5_127187
Theileria parva ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Plasmodium knowlesi ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) Get druggable targets OG5_127187 All targets in OG5_127187
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Theileria parva ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Neospora caninum ATP-dependent Clp protease proteolytic subunit, related Get druggable targets OG5_127187 All targets in OG5_127187
Babesia bovis ATP-dependent Clp protease proteolytic subunit 1, putative Get druggable targets OG5_127187 All targets in OG5_127187
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127187 All targets in OG5_127187
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Treponema pallidum ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Plasmodium yoelii ATP-dependent Clp protease, proteolytic subunit ClpP, putative Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus multilocularis peptidase Clp (S14 family) Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Babesia bovis ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 188 aa 41.5 %
Plasmodium yoelii Clp protease ATP-dependent Clp protease proteolytic subunit   197 aa 183 aa 36.6 %
Treponema pallidum ATP-dependent Clp protease proteolytic subunit ATP-dependent Clp protease proteolytic subunit   197 aa 186 aa 40.3 %
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit ATP-dependent Clp protease proteolytic subunit   197 aa 183 aa 36.1 %
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 ATP-dependent Clp protease proteolytic subunit   197 aa 172 aa 57.0 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Onchocerca volvulus Putative V-type proton ATPase subunit F ATP-dependent Clp protease proteolytic subunit   197 aa 194 aa 54.1 %
Plasmodium knowlesi ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 189 aa 36.0 %
Schistosoma mansoni neuropeptide receptor ATP-dependent Clp protease proteolytic subunit   197 aa 174 aa 20.1 %
Plasmodium berghei ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 180 aa 36.7 %
Chlamydia trachomatis hypothetical protein ATP-dependent Clp protease proteolytic subunit   197 aa 171 aa 22.8 %
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 189 aa 35.5 %
Babesia bovis ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 188 aa 41.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Onchocerca volvulus Cathepsin L homolog 0.021 0.3567 0.5152
Echinococcus multilocularis cathepsin d (lysosomal aspartyl protease) 0.0107 0.1043 0.0341
Loa Loa (eye worm) hypothetical protein 0.021 0.3567 0.3567
Brugia malayi Cathepsin L-like precursor 0.0145 0.1964 0.1964
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0256 0.472 1
Echinococcus granulosus calpain 7 C02 family 0.0164 0.2442 0.1849
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0179 0.2826 0.2826
Trypanosoma cruzi cysteine peptidase, putative 0.0256 0.472 0.472
Loa Loa (eye worm) calpain family protein 1 0.0435 0.9119 0.9119
Echinococcus multilocularis cathepsin L 0.0114 0.1216 0.0527
Plasmodium falciparum plasmepsin IX 0.0114 0.1212 0.1708
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0094 0.0727 0.5
Trypanosoma cruzi kinesin, putative 0.0115 0.1226 0.1226
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0094 0.0727 0.5
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0256 0.472 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.021 0.3567 1
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.021 0.3567 0.3567
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0179 0.2826 0.4578
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0164 0.2442 0.2442
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.021 0.3567 1
Loa Loa (eye worm) fibroinase 0.021 0.3567 0.3567
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0114 0.1216 0.0683
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.047 1 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.021 0.3567 0.3567
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0435 0.9119 0.9119
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0094 0.0727 0.5
Leishmania major cathepsin L-like protease 0.0256 0.472 1
Leishmania major cathepsin L-like protease 0.021 0.3567 0.6699
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.021 0.3567 1
Plasmodium vivax aspartyl proteinase, putative 0.0107 0.1043 0.2926
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0094 0.0727 0.5
Echinococcus granulosus cathepsin l1 0.0145 0.1964 0.1334
Onchocerca volvulus 0.021 0.3567 0.5152
Trypanosoma cruzi kinesin, putative 0.0115 0.1226 0.1226
Loa Loa (eye worm) calpain family protein 1 0.032 0.6291 0.6291
Trypanosoma cruzi cysteine peptidase, putative 0.021 0.3567 0.3567
Loa Loa (eye worm) hypothetical protein 0.0145 0.1964 0.1964
Trypanosoma cruzi cruzipain precursor, putative 0.0256 0.472 0.472
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.021 0.3567 1
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0094 0.0727 0.5
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0114 0.1216 0.1216
Plasmodium vivax calpain, putative 0.0164 0.2442 0.6846
Brugia malayi Cathepsin L-like precursor 0.021 0.3567 0.3567
Leishmania major calpain, putative,cysteine peptidase, Clan CA, family C2, putative 0.0164 0.2442 0.348
Trypanosoma brucei cysteine peptidase C (CPC) 0.0179 0.2826 0.4594
Schistosoma mansoni Mername-AA248 (C02 family) 0.0164 0.2442 0.2442
Toxoplasma gondii cathepsin B 0.0179 0.2826 0.739
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.021 0.3567 1
Plasmodium vivax vivapain-3 0.0114 0.1216 0.3409
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.021 0.3567 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.021 0.3567 1
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0179 0.2826 0.7063
Plasmodium vivax unspecified product 0.0114 0.1216 0.3409
Trypanosoma cruzi cysteine peptidase, putative 0.0256 0.472 0.472
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0256 0.472 1
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0164 0.2442 0.2442
Echinococcus granulosus calpain A 0.0468 0.9952 0.9948
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.047 1 1
Brugia malayi calpain family protein 1 0.0435 0.9119 0.9119
Leishmania major cathepsin L-like protease 0.0256 0.472 1
Toxoplasma gondii aspartyl protease ASP3 0.0114 0.1212 0.1708
Loa Loa (eye worm) hypothetical protein 0.0094 0.0727 0.0727
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.021 0.3567 1
Echinococcus granulosus cathepsin d lysosomal aspartyl protease 0.0107 0.1043 0.0341
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.021 0.3567 1
Plasmodium falciparum plasmepsin II 0.0107 0.1043 0.1114
Giardia lamblia Cathepsin B precursor 0.0179 0.2826 0.5
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.021 0.3567 1
Leishmania major cathepsin L-like protease 0.021 0.3567 0.6699
Echinococcus granulosus cathepsin l cysteine peptidase 0.021 0.3567 0.3062
Plasmodium falciparum cysteine proteinase falcipain 2b 0.021 0.3567 1
Loa Loa (eye worm) hypothetical protein 0.0271 0.5075 0.5075
Loa Loa (eye worm) cathepsin B 0.0179 0.2826 0.2826
Trypanosoma brucei antigen, putative 0.0164 0.2442 0.3499
Echinococcus multilocularis cathepsin L cysteine protease 0.021 0.3567 0.3062
Giardia lamblia Cathepsin B precursor 0.0179 0.2826 0.5
Entamoeba histolytica protein kinase, putative 0.0115 0.1226 0.0043
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0256 0.472 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0145 0.1964 0.3648
Schistosoma mansoni calpain (C02 family) 0.0164 0.2442 0.2442
Schistosoma mansoni cathepsin F (C01 family) 0.0145 0.1964 0.1964
Schistosoma mansoni calpain-7 (C02 family) 0.0164 0.2442 0.2442
Echinococcus granulosus family C2 unassigned peptidase C02 family 0.0467 0.9929 0.9923
Echinococcus granulosus cathepsin l1 0.021 0.3567 0.3062
Plasmodium falciparum cysteine proteinase falcipain 2a 0.021 0.3567 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.021 0.3567 1
Schistosoma mansoni calpain C (C02 family) 0.0164 0.2442 0.2442
Entamoeba histolytica cysteine proteinase, putative 0.021 0.3567 1
Entamoeba histolytica cysteine proteinase, putative 0.0145 0.1964 0.3182
Echinococcus granulosus calpain 5 0.0164 0.2442 0.1849
Brugia malayi Cathepsin L-like precursor 0.0145 0.1964 0.1964
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0179 0.2826 0.2826
Echinococcus multilocularis cathepsin b 0.047 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.021 0.3567 1
Schistosoma mansoni cathepsin D (A01 family) 0.0388 0.796 0.796
Toxoplasma gondii aspartyl protease ASP1 0.0107 0.1043 0.1114
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0164 0.2442 0.2442
Echinococcus multilocularis calpain family protein 1, d 0.032 0.6291 0.6
Echinococcus granulosus cathepsin L 0.0114 0.1216 0.0527
Echinococcus granulosus cathepsin L cysteine protease 0.0114 0.1216 0.0527
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.021 0.3567 1
Brugia malayi Cathepsin L-like precursor 0.021 0.3567 0.3567
Echinococcus granulosus calpain A 0.0164 0.2442 0.1849
Brugia malayi Probable ClpP-like protease 0.0094 0.0727 0.0727
Echinococcus multilocularis calpain A 0.0468 0.9952 0.9948
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.5251 0.5
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0467 0.9929 0.9929
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0164 0.2442 0.348
Trypanosoma brucei kinesin, putative 0.0115 0.1226 0.0029
Plasmodium vivax aspartyl protease, putative 0.0114 0.1212 0.3399
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0164 0.2442 0.2442
Loa Loa (eye worm) hypothetical protein 0.0107 0.1043 0.1043
Plasmodium vivax vivapain-2 0.021 0.3567 1
Leishmania major cathepsin L-like protease 0.021 0.3567 0.6699
Echinococcus granulosus cathepsin b 0.047 1 1
Brugia malayi Papain family cysteine protease containing protein 0.0114 0.1216 0.1216
Echinococcus granulosus cathepsin L cysteine proteinase 0.021 0.3567 0.3062
Brugia malayi Papain family cysteine protease containing protein 0.021 0.3567 0.3567
Plasmodium falciparum plasmepsin VI 0.0107 0.1043 0.1114
Brugia malayi Cathepsin L-like precursor 0.021 0.3567 0.3567
Onchocerca volvulus 0.021 0.3567 0.5152
Onchocerca volvulus 0.021 0.3567 0.5152
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0164 0.2442 0.2442
Trypanosoma cruzi cysteine proteinase, putative 0.0114 0.1216 0.1216
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0164 0.2442 0.3499
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0164 0.2442 0.2442
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0114 0.1216 0.1216
Leishmania major cathepsin L-like protease 0.0256 0.472 1
Brugia malayi Cathepsin L-like cysteine proteinase 0.0145 0.1964 0.1964
Loa Loa (eye worm) ctsf protein 0.021 0.3567 0.3567
Echinococcus multilocularis cysteine protease 0.021 0.3567 0.3062
Echinococcus granulosus cysteine protease 0.0114 0.1216 0.0527
Loa Loa (eye worm) calpain 0.0164 0.2442 0.2442
Echinococcus multilocularis calpain 7 (C02 family) 0.0164 0.2442 0.1849
Onchocerca volvulus 0.021 0.3567 0.5152
Plasmodium falciparum plasmepsin I 0.0107 0.1043 0.1114
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.021 0.3567 1
Brugia malayi Cathepsin L-like precursor 0.021 0.3567 0.3567
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0164 0.2442 0.2442
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.021 0.3567 1
Loa Loa (eye worm) hypothetical protein 0.0145 0.1964 0.1964
Leishmania major cathepsin L-like protease 0.021 0.3567 0.6699
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0256 0.472 1
Trypanosoma cruzi calpain cysteine peptidase, putative 0.0164 0.2442 0.2442
Giardia lamblia Cathepsin B precursor 0.0179 0.2826 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.021 0.3567 1
Onchocerca volvulus 0.021 0.3567 0.5152
Toxoplasma gondii aspartyl proteinase (eimepsin), putative 0.0107 0.1043 0.1114
Trypanosoma cruzi cysteine peptidase, putative 0.0256 0.472 0.472
Schistosoma mansoni calpain-7 (C02 family) 0.0164 0.2442 0.2442
Echinococcus multilocularis cysteine protease 0.021 0.3567 0.3062
Leishmania major cysteine peptidase A (CPA) 0.021 0.3567 0.6699
Brugia malayi Cathepsin L-like precursor 0.021 0.3567 0.3567
Trypanosoma cruzi cysteine proteinase, putative 0.0114 0.1216 0.1216
Brugia malayi cathepsin L-like precursor 0.0145 0.1964 0.1964
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.021 0.3567 1
Plasmodium vivax vivapain-2 0.021 0.3567 1
Leishmania major cathepsin L-like protease 0.021 0.3567 0.6699
Onchocerca volvulus 0.021 0.3567 0.5152
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.021 0.3567 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0256 0.472 1
Plasmodium vivax plasmepsin IV, putative 0.0107 0.1043 0.2926
Onchocerca volvulus Cathepsin F homolog 0.021 0.3567 0.5152
Entamoeba histolytica cysteine proteinase, putative 0.021 0.3567 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0256 0.472 1
Trypanosoma cruzi major cysteine proteinase, putative 0.0096 0.0766 0.0766
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0256 0.472 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.047 1 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0114 0.1216 0.1216
Loa Loa (eye worm) hypothetical protein 0.047 1 1
Echinococcus multilocularis cathepsin L cysteine protease 0.021 0.3567 0.3062
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0094 0.0727 0.2039
Echinococcus granulosus cathepsin b 0.047 1 1
Plasmodium falciparum cysteine proteinase falcipain 3 0.021 0.3567 1
Onchocerca volvulus 0.0271 0.5075 1
Echinococcus multilocularis calpain 5 0.0164 0.2442 0.1849
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0164 0.2442 0.348
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0191 0.3117 0.3117
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0114 0.1216 0.0683
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.021 0.3567 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0145 0.1964 0.3648
Entamoeba histolytica calpain large subunit domain III containing protein 0.0115 0.1226 0.0043
Trypanosoma brucei calpain-like protein, putative 0.0164 0.2442 0.3499
Echinococcus multilocularis calpain 0.0164 0.2442 0.1849
Schistosoma mansoni peptidase Clp (S14 family) 0.0094 0.0727 0.0727
Loa Loa (eye worm) hypothetical protein 0.032 0.6291 0.6291
Loa Loa (eye worm) hypothetical protein 0.0385 0.7903 0.7903
Loa Loa (eye worm) aspartic protease BmAsp-2 0.0107 0.1043 0.1043
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.021 0.3567 1
Plasmodium falciparum plasmepsin IV 0.0107 0.1043 0.1114
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0164 0.2442 0.2442
Loa Loa (eye worm) cysteine protease 0.021 0.3567 0.3567
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0256 0.472 1
Trypanosoma cruzi cysteine protease, putative 0.0114 0.1216 0.1216
Plasmodium vivax vivapain-1 0.0114 0.1216 0.3409
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.021 0.3567 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.021 0.3567 0.3062
Schistosoma mansoni cathepsin D (A01 family) 0.0388 0.796 0.796
Brugia malayi Cathepsin L-like precursor 0.021 0.3567 0.3567
Trypanosoma brucei cysteine peptidase, Clan CA, family C2, putative 0.0164 0.2442 0.3499
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0114 0.1216 0.1216
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0467 0.9929 0.9929
Echinococcus multilocularis hypothetical protein 0.0164 0.2442 0.1849
Toxoplasma gondii cathepsin CPL 0.021 0.3567 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0256 0.472 1
Trypanosoma cruzi cysteine peptidase, putative 0.0114 0.1216 0.1216
Schistosoma mansoni cathepsin F (C01 family) 0.021 0.3567 0.3567
Loa Loa (eye worm) calpain 5 0.0115 0.1226 0.1226
Echinococcus multilocularis cathepsin b 0.047 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.021 0.3567 1
Schistosoma mansoni cathepsin F (C01 family) 0.021 0.3567 0.3567
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.047 1 1
Loa Loa (eye worm) hypothetical protein 0.0435 0.9119 0.9119
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.047 1 1
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0107 0.1043 0.1043
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.021 0.3567 1
Plasmodium vivax aspartyl protease, putative 0.0114 0.1212 0.3399
Trypanosoma brucei calpain-like protein, putative 0.0164 0.2442 0.3499
Echinococcus multilocularis cathepsin l cysteine peptidase 0.021 0.3567 0.3062
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.021 0.3567 1
Plasmodium falciparum cysteine proteinase falcipain 1 0.0114 0.1216 0.1721
Echinococcus granulosus calpain 0.0164 0.2442 0.1849
Trypanosoma brucei calpain-like protein, putative 0.0164 0.2442 0.3499
Entamoeba histolytica cysteine protease, putative 0.021 0.3567 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0256 0.472 1
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0094 0.0727 0.5
Trypanosoma brucei calpain-like protein, putative 0.0164 0.2442 0.3499
Brugia malayi Papain family cysteine protease containing protein 0.0114 0.1216 0.1216
Brugia malayi calpain 5 0.0115 0.1226 0.1226
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) 0.0467 0.9929 0.9923
Onchocerca volvulus Cathepsin L homolog 0.021 0.3567 0.5152
Loa Loa (eye worm) hypothetical protein 0.0145 0.1964 0.1964
Brugia malayi calpain 7 0.0164 0.2442 0.2442
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0094 0.0727 0.5
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0164 0.2442 0.2442
Plasmodium falciparum plasmepsin X 0.0114 0.1212 0.1708
Brugia malayi calpain family protein 1 0.0435 0.9119 0.9119
Onchocerca volvulus 0.021 0.3567 0.5152
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.021 0.3567 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 2.8184 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) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.1254 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 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) 29.9349 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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