Detailed information for compound 1576594

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 356.444 | Formula: C21H16N4S
  • H donors: 2 H acceptors: 2 LogP: 4.6 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1c(N)nc2c(c1c1cccs1)CCc1c2[nH]c2c1cc(cc2)C
  • InChi: 1S/C21H16N4S/c1-11-4-7-16-14(9-11)12-5-6-13-18(17-3-2-8-26-17)15(10-22)21(23)25-20(13)19(12)24-16/h2-4,7-9,24H,5-6H2,1H3,(H2,23,25)
  • InChiKey: TTYYHCONBDEOBH-UHFFFAOYSA-N  


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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis 20S proteasome subunit alpha 6 0.0065 0.0426 0.0426
Brugia malayi Matrixin family protein 0.0044 0.0202 0.0375
Trypanosoma brucei proteasome beta 6 subunit 0.0256 0.2513 0.7389
Echinococcus granulosus Proteasome subunit alpha type 7 0.0065 0.0426 0.0426
Trypanosoma cruzi proteasome alpha 7 subunit, putative 0.0065 0.0426 0.1008
Entamoeba histolytica proteasome subunit alpha type 3, putative 0.0065 0.0426 0.0595
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0048 0.0243 0.0439
Onchocerca volvulus 0.0048 0.0243 0.2015
Plasmodium falciparum proteasome subunit beta type-3, putative 0.0065 0.0426 0.1008
Leishmania major proteasome alpha 1 subunit, putative 0.0065 0.0426 0.1008
Trypanosoma brucei proteasome alpha 1 subunit, putative 0.0065 0.0426 0.0595
Loa Loa (eye worm) ctsf protein 0.0048 0.0243 0.0486
Loa Loa (eye worm) hypothetical protein 0.0044 0.0202 0.0375
Echinococcus multilocularis cathepsin L cysteine protease 0.0048 0.0243 0.0243
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.0161 0.1476 0.1476
Loa Loa (eye worm) hypothetical protein 0.0048 0.0243 0.0486
Schistosoma mansoni ankyrin 23/unc44 0.0096 0.0771 0.2169
Brugia malayi proteasome subunit beta type 2 0.0158 0.145 0.38
Loa Loa (eye worm) proteasome subunit alpha type 7-1 0.0065 0.0426 0.0988
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0206 0.0206
Trypanosoma cruzi proteasome alpha 3 subunit, putative 0.0065 0.0426 0.1008
Leishmania major 20s proteasome beta 7 subunit, (putative) 0.0065 0.0426 0.1008
Schistosoma mansoni cathepsin F (C01 family) 0.0048 0.0243 0.0545
Brugia malayi Matrixin family protein 0.0044 0.0202 0.0375
Treponema pallidum fructose-bisphosphate aldolase 0.0304 0.3041 0.5
Schistosoma mansoni proteasome subunit alpha 3 (T01 family) 0.0065 0.0426 0.1108
Mycobacterium tuberculosis Proteasome beta subunit PrcB; assembles with alpha subunit PrcA. 0.0329 0.3315 1
Giardia lamblia Proteasome subunit beta type 2 0.0158 0.145 0.3734
Entamoeba histolytica proteasome subunit alpha type 3, putative 0.0065 0.0426 0.0595
Giardia lamblia Proteasome subunit beta type 3 0.0065 0.0426 0.0292
Onchocerca volvulus Cathepsin L homolog 0.0048 0.0243 0.2015
Loa Loa (eye worm) hypothetical protein 0.0044 0.0202 0.0375
Echinococcus multilocularis Proteasome subunit alpha type 7 0.0065 0.0426 0.0426
Brugia malayi Cathepsin L-like precursor 0.0048 0.0243 0.0486
Giardia lamblia 20S proteasome alpha subunit 4 0.0065 0.0426 0.0292
Schistosoma mansoni glutamate receptor NMDA 0.0061 0.0384 0.0978
Schistosoma mansoni cathepsin F (C01 family) 0.0048 0.0243 0.0545
Trypanosoma cruzi proteasome beta 2 subunit, putative 0.0065 0.0426 0.1008
Toxoplasma gondii proteasome subunit alpha type 5-2, putative 0.0065 0.0426 0.1008
Entamoeba histolytica proteasome subunit alpha type 2-A, putative 0.0065 0.0426 0.0595
Trypanosoma brucei ATP-dependent protease subunit HslV 0.0065 0.0426 0.0595
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.0065 0.0426 0.0988
Toxoplasma gondii cathepsin CPL 0.0048 0.0243 0.0439
Plasmodium falciparum proteasome subunit alpha type-4, putative 0.0065 0.0426 0.1008
Brugia malayi Uncoordinated protein 44 0.0096 0.0771 0.1934
Plasmodium falciparum proteasome subunit alpha type-6, putative 0.0065 0.0426 0.1008
Brugia malayi proteasome subunit beta type 3 0.0065 0.0426 0.0988
Trypanosoma cruzi proteasome subunit alpha type-5, putative 0.0065 0.0426 0.1008
Plasmodium vivax proteasome subunit beta type-1, putative 0.0256 0.2513 0.7504
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0149 0.1342 0.3439
Plasmodium falciparum proteasome subunit alpha type-1, putative 0.0065 0.0426 0.1008
Echinococcus granulosus proteasome subunit alpha type 2 0.0065 0.0426 0.0426
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0206 0.043
Toxoplasma gondii proteasome subunit 0.0065 0.0426 0.1008
Leishmania major proteasome beta 6 subunit, putative,20S proteasome beta 6 subunit, putative 0.0256 0.2513 0.7504
Giardia lamblia Proteasome subunit beta type 9 precursor 0.0065 0.0426 0.0292
Loa Loa (eye worm) hypothetical protein 0.0097 0.0775 0.1945
Plasmodium falciparum proteasome subunit beta type-4 0.0065 0.0426 0.1008
Echinococcus multilocularis proteasome subunit alpha type 6 0.0065 0.0426 0.0426
Onchocerca volvulus 0.0044 0.0202 0.1436
Entamoeba histolytica proteasome subunit beta type 6 precursor, putative 0.0065 0.0426 0.0595
Echinococcus granulosus Proteasome subunit alpha beta 0.0065 0.0426 0.0426
Echinococcus multilocularis cathepsin b 0.0147 0.1329 0.1329
Toxoplasma gondii cathepsin B 0.0057 0.0339 0.0738
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0304 0.3041 0.9108
Brugia malayi proteasome subunit alpha type 4 0.0065 0.0426 0.0988
Trypanosoma cruzi 20S proteasome subunit 0.0158 0.145 0.4196
Plasmodium vivax proteasome subunit alpha type-4, putative 0.0065 0.0426 0.1008
Loa Loa (eye worm) matrixin family protein 0.0098 0.0791 0.199
Plasmodium vivax proteasome subunit beta type-4, putative 0.0065 0.0426 0.1008
Plasmodium vivax proteasome subunit beta type-6, putative 0.0065 0.0426 0.1008
Leishmania major proteasome alpha 3 subunit, putative 0.0065 0.0426 0.1008
Entamoeba histolytica proteasome subunit beta Type 4 precursor, putative 0.0065 0.0426 0.0595
Giardia lamblia 20S proteasome alpha subunit 2 0.0065 0.0426 0.0292
Loa Loa (eye worm) fibroinase 0.0048 0.0243 0.0486
Trypanosoma cruzi proteasome alpha 7 subunit, putative 0.0065 0.0426 0.1008
Schistosoma mansoni proteasome catalytic subunit 2 (T01 family) 0.0065 0.0426 0.1108
Loa Loa (eye worm) TK/ROR protein kinase 0.0038 0.0133 0.0185
Plasmodium vivax proteasome subunit alpha type-3, putative 0.0065 0.0426 0.1008
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0147 0.1329 0.3886
Schistosoma mansoni subfamily T1A non-peptidase homologue (T01 family) 0.0065 0.0426 0.1108
Echinococcus multilocularis Proteasome, subunit alpha beta 0.0065 0.0426 0.0426
Echinococcus multilocularis Proteasome subunit alpha type 7 0.0065 0.0426 0.0426
Echinococcus granulosus proteasome subunit beta type 7 0.0065 0.0426 0.0426
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0206 0.0206
Loa Loa (eye worm) matrixin family protein 0.0107 0.0888 0.2255
Onchocerca volvulus Matrix metalloproteinase homolog 0.0098 0.0791 0.9842
Leishmania major hs1vu complex proteolytic subunit-like,hs1vu complex proteolytic subunit-like, threonine peptidase, Clan T(1), family T1B 0.0065 0.0426 0.1008
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0032 0.0066 0.0066
Brugia malayi Calcitonin receptor-like protein seb-1 0.01 0.0815 0.2055
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0057 0.0339 0.0738
Brugia malayi proteasome subunit alpha type 1 0.0065 0.0426 0.0988
Trypanosoma cruzi proteasome beta 7 subunit, putative 0.0065 0.0426 0.1008
Giardia lamblia 20S proteasome alpha subunit 6 0.0065 0.0426 0.0292
Giardia lamblia Proteasome subunit beta type 1 0.0256 0.2513 0.7305
Leishmania major cathepsin L-like protease 0.0048 0.0243 0.0439
Echinococcus granulosus myosin light chain kinase smooth muscle 0.0235 0.2288 0.2288
Echinococcus granulosus proteasome subunit alpha type 6 0.0065 0.0426 0.0426
Echinococcus multilocularis cysteine protease 0.0048 0.0243 0.0243
Brugia malayi Kelch motif family protein 0.0057 0.0346 0.0768
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0149 0.1342 0.3439
Schistosoma mansoni proteasome subunit beta 1 (T01 family) 0.0256 0.2513 0.7531
Brugia malayi Matrixin family protein 0.0044 0.0202 0.0375
Trypanosoma cruzi hslVU complex proteolytic subunit, threonine peptidase, Clan T(1), family T1B 0.0065 0.0426 0.1008
Loa Loa (eye worm) 20S proteasome alpha5 subunit 0.0065 0.0426 0.0988
Loa Loa (eye worm) kelch domain-containing protein family protein 0.0057 0.0346 0.0768
Echinococcus multilocularis integrin beta 2 0.0267 0.2641 0.2641
Brugia malayi Proteasome A-type and B-type family protein 0.0065 0.0426 0.0988
Plasmodium vivax proteasome subunit beta type-7, putative 0.0065 0.0426 0.1008
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0329 0.3315 1
Schistosoma mansoni hypothetical protein 0.0063 0.0404 0.1042
Loa Loa (eye worm) matrix metalloproteinase 0.0044 0.0202 0.0375
Leishmania major proteasome beta 2 subunit, putative 0.0158 0.145 0.4196
Leishmania major 20s proteasome beta 7 subunit, (putative) 0.0065 0.0426 0.1008
Trypanosoma brucei proteasome beta 7 subunit 0.0065 0.0426 0.0595
Echinococcus granulosus proteasome prosome macropain 0.0329 0.3315 0.3315
Trypanosoma cruzi cruzipain precursor, putative 0.0048 0.0243 0.0439
Trypanosoma cruzi proteasome alpha 7 subunit, putative 0.0065 0.0426 0.1008
Echinococcus granulosus cathepsin l cysteine peptidase 0.0048 0.0243 0.0243
Onchocerca volvulus 0.0048 0.0243 0.2015
Brugia malayi Death domain containing protein 0.0096 0.0771 0.1934
Echinococcus granulosus serine:threonine protein kinase 0.0235 0.2288 0.2288
Trichomonas vaginalis Family T1, proteasome alpha subunit, threonine peptidase 0.0065 0.0426 0.0595
Entamoeba histolytica proteasome subunit alpha type 6, putative 0.0065 0.0426 0.0595
Leishmania major cathepsin L-like protease 0.0048 0.0243 0.0439
Brugia malayi Integrin beta pat-3 precursor 0.0365 0.371 1
Loa Loa (eye worm) proteasome subunit alpha type 6 0.0065 0.0426 0.0988
Echinococcus granulosus proteasome prosome macropain subunit beta 0.0158 0.145 0.145
Leishmania major cathepsin L-like protease 0.0048 0.0243 0.0439
Entamoeba histolytica proteasome subunit beta type 1, putative 0.0256 0.2513 0.7389
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0032 0.0066 0.0066
Trypanosoma cruzi proteasome beta 6 subunit, putative 0.0256 0.2513 0.7504
Mycobacterium ulcerans proteasome PrcA 0.0065 0.0426 0.0393
Giardia lamblia 20S proteasome alpha subunit 5 0.0065 0.0426 0.0292
Plasmodium falciparum proteasome subunit beta type-7, putative 0.0065 0.0426 0.1008
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0206 0.0384
Echinococcus granulosus subfamily T1A non peptidase ue 0.0065 0.0426 0.0426
Leishmania major proteasome alpha 1 subunit, putative 0.0065 0.0426 0.1008
Schistosoma mansoni proteasome subunit alpha 4 (T01 family) 0.0065 0.0426 0.1108
Schistosoma mansoni retinoblastoma-binding protein 4 (rbbp4) 0.0097 0.0775 0.2181
Plasmodium falciparum proteasome subunit beta type-6, putative 0.0065 0.0426 0.1008
Leishmania major cathepsin L-like protease 0.0048 0.0243 0.0439
Brugia malayi Cathepsin L-like precursor 0.0048 0.0243 0.0486
Schistosoma mansoni proteasome subunit alpha 6 (T01 family) 0.0065 0.0426 0.1108
Schistosoma mansoni proteasome subunit alpha 2 (T01 family) 0.0065 0.0426 0.1108
Echinococcus granulosus proteasome prosome macropain subunit alpha 0.0065 0.0426 0.0426
Giardia lamblia 20S proteasome alpha subunit 1 0.0065 0.0426 0.0292
Trichomonas vaginalis Family T1, proteasome alpha subunit, threonine peptidase 0.0065 0.0426 0.0595
Plasmodium falciparum proteasome subunit alpha type-7, putative 0.0065 0.0426 0.1008
Echinococcus granulosus cathepsin L cysteine proteinase 0.0048 0.0243 0.0243
Echinococcus multilocularis proteasome (prosome macropain) subunit alpha 0.0065 0.0426 0.0426
Leishmania major proteasome beta 7 subunit, putative 0.0065 0.0426 0.1008
Onchocerca volvulus Cathepsin F homolog 0.0048 0.0243 0.2015
Echinococcus multilocularis Ankyrin 0.0097 0.0775 0.0775
Brugia malayi Proteasome subunit alpha type 1 0.0065 0.0426 0.0988
Trypanosoma cruzi proteasome beta 6 subunit, putative 0.0256 0.2513 0.7504
Brugia malayi Proteasome A-type and B-type family protein 0.0065 0.0426 0.0988
Toxoplasma gondii proteasome subunit beta type 1, putative 0.0256 0.2513 0.7504
Brugia malayi proteasome subunit alpha type 6 0.0065 0.0426 0.0988
Trypanosoma brucei proteasome beta 2 subunit, putative 0.0065 0.0426 0.0595
Echinococcus multilocularis proteasome (prosome macropain) subunit beta type 0.0065 0.0426 0.0426
Schistosoma mansoni proteasome subunit beta 3 (T01 family) 0.0065 0.0426 0.1108
Trypanosoma cruzi proteasome subunit alpha type-5, putative 0.0065 0.0426 0.1008
Toxoplasma gondii peptidase, T1 family protein 0.0065 0.0426 0.1008
Schistosoma mansoni subfamily T1A non-peptidase homologue (T01 family) 0.0065 0.0426 0.1108
Loa Loa (eye worm) hypothetical protein 0.0048 0.0243 0.0486
Schistosoma mansoni hypothetical protein 0.0035 0.0102 0.0111
Echinococcus multilocularis proteasome subunit beta (t family) proteasome (prosome macropain) subunit beta 0.0065 0.0426 0.0426
Echinococcus granulosus netrin receptor unc 5 0.0096 0.0771 0.0771
Trypanosoma cruzi proteasome alpha 2 subunit, putative 0.0065 0.0426 0.1008
Mycobacterium leprae probable proteasome (alpha subunit) PrcA 0.0065 0.0426 0.0393
Giardia lamblia Proteasome subunit beta type 5 precursor 0.0329 0.3315 1
Entamoeba histolytica proteasome subunit alpha type 7, putative 0.0065 0.0426 0.0595
Entamoeba histolytica proteasome subunit alpha type 5, putative 0.0065 0.0426 0.0595
Plasmodium falciparum cysteine proteinase falcipain 3 0.0048 0.0243 0.0439
Trypanosoma cruzi proteasome alpha 3 subunit, putative 0.0065 0.0426 0.1008
Leishmania major proteasome alpha 2 subunit, putative 0.0065 0.0426 0.1008
Entamoeba histolytica proteasome subunit alpha type 5, putative 0.0065 0.0426 0.0595
Giardia lamblia 20S proteasome alpha subunit 7 0.0065 0.0426 0.0292
Brugia malayi cathepsin B-like cysteine proteinase 0.0147 0.1329 0.3466
Plasmodium vivax vivapain-2 0.0048 0.0243 0.0439
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0206 0.0384
Trypanosoma cruzi proteasome beta-1 subunit, putative 0.0065 0.0426 0.1008
Brugia malayi Proteasome A-type and B-type family protein 0.0065 0.0426 0.0988
Leishmania major cathepsin L-like protease 0.0048 0.0243 0.0439
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0158 0.145 0.393
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0941 1 1
Schistosoma mansoni proteasome subunit alpha 7 (T01 family) 0.0065 0.0426 0.1108
Echinococcus granulosus cathepsin b 0.0147 0.1329 0.1329
Brugia malayi Matrixin family protein 0.0044 0.0202 0.0375
Brugia malayi 20S proteasome alpha5 subunit 0.0065 0.0426 0.0988
Loa Loa (eye worm) proteasome subunit alpha type 2 0.0065 0.0426 0.0988
Schistosoma mansoni proteasome subunit beta 3 (T01 family) 0.0065 0.0426 0.1108
Echinococcus multilocularis tissue type plasminogen activator 0.0035 0.0102 0.0102
Echinococcus granulosus integrin beta 2 0.0267 0.2641 0.2641
Plasmodium vivax proteasome subunit alpha type-7, putative 0.0065 0.0426 0.1008
Trichomonas vaginalis Family T1, proteasome alpha subunit, threonine peptidase 0.0065 0.0426 0.0595
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0256 0.2513 0.7389
Leishmania major proteasome alpha 7 subunit, putative 0.0065 0.0426 0.1008
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0206 0.043
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0057 0.0339 0.0738
Leishmania major proteasome beta 3 subunit, putative 0.0065 0.0426 0.1008
Echinococcus granulosus Ankyrin 0.0097 0.0775 0.0775
Plasmodium vivax proteasome subunit alpha type-1, putative 0.0065 0.0426 0.1008
Trichomonas vaginalis Family T1, proteasome alpha subunit, threonine peptidase 0.0065 0.0426 0.0595
Trypanosoma brucei Proteasome subunit A N-terminal signature/Proteasome subunit, putative 0.0065 0.0426 0.0595
Brugia malayi Cathepsin L-like precursor 0.0048 0.0243 0.0486
Toxoplasma gondii proteasome subunit alpha type, putative 0.0065 0.0426 0.1008
Leishmania major cathepsin L-like protease 0.0048 0.0243 0.0439
Onchocerca volvulus Matrilysin homolog 0.0044 0.0202 0.1436
Brugia malayi hypothetical protein 0.0057 0.0346 0.0768
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0065 0.0426 0.0595
Onchocerca volvulus 0.0048 0.0243 0.2015
Trypanosoma cruzi proteasome beta 3 subunit, putative 0.0065 0.0426 0.1008
Echinococcus granulosus cathepsin b 0.0147 0.1329 0.1329
Giardia lamblia Fructose-bisphosphate aldolase 0.0304 0.3041 0.9079
Plasmodium falciparum proteasome subunit alpha type-3, putative 0.0065 0.0426 0.1008
Echinococcus multilocularis cysteine protease 0.0048 0.0243 0.0243
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.0065 0.0426 0.0988
Echinococcus granulosus glutamate NMDA receptor subunit 0.0061 0.0384 0.0384
Trypanosoma brucei proteasome alpha 7 subunit 0.0065 0.0426 0.0595
Trypanosoma cruzi cysteine peptidase, putative 0.0048 0.0243 0.0439
Entamoeba histolytica probable proteasome subunit beta type 2, putative 0.0158 0.145 0.393
Entamoeba histolytica proteasome subunit alpha type 1, putative 0.0065 0.0426 0.0595
Plasmodium falciparum proteasome subunit alpha type-2, putative 0.0065 0.0426 0.1008
Toxoplasma gondii proteasome subunit beta type 2, putative 0.0158 0.145 0.4196
Echinococcus multilocularis proteasome subunit beta type 7 0.0065 0.0426 0.0426
Entamoeba histolytica proteasome subunit beta type 7-B precursor, putative 0.0065 0.0426 0.0595
Trypanosoma brucei proteasome beta 3 subunit, putative 0.0065 0.0426 0.0595
Loa Loa (eye worm) hypothetical protein 0.0054 0.0308 0.0664
Brugia malayi proteasome subunit beta type 1 0.0256 0.2513 0.6716
Brugia malayi Cathepsin L-like precursor 0.0048 0.0243 0.0486
Wolbachia endosymbiont of Brugia malayi ATP-dependent protease peptidase subunit 0.0065 0.0426 0.5
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0329 0.3315 1
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.0065 0.0426 0.0988
Schistosoma mansoni integrin beta subunit 0.021 0.2014 0.5996
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.0329 0.3315 0.8918
Leishmania major proteasome beta 2 subunit, putative 0.0065 0.0426 0.1008
Trypanosoma cruzi proteasome alpha 7 subunit, putative 0.0065 0.0426 0.1008
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0147 0.1329 0.3818
Trypanosoma brucei proteasome subunit beta type-2, putative 0.0158 0.145 0.393
Entamoeba histolytica proteasome subunit beta type 5 precursor, putative 0.0329 0.3315 1
Toxoplasma gondii proteasome subunit alpha2, protease of the acylase family and NTN hydrolase fold, putative 0.0065 0.0426 0.1008
Trypanosoma cruzi ATP-dependent protease subunit HslV, putative 0.0065 0.0426 0.1008
Plasmodium falciparum proteasome subunit beta type-5 0.0329 0.3315 1
Echinococcus multilocularis subfamily T1A non peptidase ue 0.0065 0.0426 0.0426
Echinococcus granulosus proteasome subunit beta type 6 0.0065 0.0426 0.0426
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0048 0.0243 0.0486
Echinococcus granulosus cathepsin l1 0.0048 0.0243 0.0243
Plasmodium falciparum proteasome subunit beta type-1, putative 0.0256 0.2513 0.7504
Plasmodium falciparum proteasome subunit beta type-2, putative 0.0158 0.145 0.4196
Brugia malayi latrophilin 2 splice variant baaae 0.0069 0.0468 0.1104
Entamoeba histolytica proteasome subunit alpha type 4, putative 0.0065 0.0426 0.0595
Onchocerca volvulus Cathepsin L homolog 0.0048 0.0243 0.2015
Brugia malayi Protein kinase domain containing protein 0.0096 0.0773 0.1941
Loa Loa (eye worm) proteasome subunit alpha type 3 0.0065 0.0426 0.0988
Onchocerca volvulus 0.0048 0.0243 0.2015
Trypanosoma brucei cysteine peptidase C (CPC) 0.0057 0.0339 0.0312
Loa Loa (eye worm) hypothetical protein 0.0035 0.0102 0.0099
Loa Loa (eye worm) pigment dispersing factor receptor c 0.01 0.0815 0.2055
Trypanosoma cruzi proteasome beta-1 subunit, putative 0.0065 0.0426 0.1008
Loa Loa (eye worm) proteasome subunit beta type 3 0.0065 0.0426 0.0988
Leishmania major 20s proteasome beta 7 subunit, (putative) 0.0065 0.0426 0.1008
Echinococcus granulosus cathepsin l1 0.0048 0.0243 0.0243
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0065 0.0426 0.0595
Leishmania major proteasome beta 5 subunit, putative 0.0329 0.3315 1
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0048 0.0243 0.0486
Echinococcus granulosus ankyrin repeat and death domain containing protein 0.0096 0.0771 0.0771
Loa Loa (eye worm) PAS-3 protein 0.0065 0.0426 0.0988
Trichomonas vaginalis Family T1, proteasome alpha subunit, threonine peptidase 0.0065 0.0426 0.0595
Trichomonas vaginalis Family T1, proteasome alpha subunit, threonine peptidase 0.0065 0.0426 0.0595
Onchocerca volvulus 0.0048 0.0243 0.2015
Mycobacterium tuberculosis Proteasome alpha subunit PrcA; assembles with beta subunit PrcB. 0.0065 0.0426 0.0393
Plasmodium vivax vivapain-2 0.0048 0.0243 0.0439
Schistosoma mansoni proteasome subunit beta 2 (T01 family) 0.0065 0.0426 0.1108
Brugia malayi Immunoglobulin I-set domain containing protein 0.0096 0.0771 0.1934
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0206 0.0206
Entamoeba histolytica proteasome subunit alpha type 4, putative 0.0065 0.0426 0.0595
Schistosoma mansoni hypothetical protein 0.0096 0.0771 0.2169
Loa Loa (eye worm) hypothetical protein 0.0069 0.0468 0.1104
Loa Loa (eye worm) hypothetical protein 0.01 0.0815 0.2055
Echinococcus multilocularis netrin receptor unc 5 0.0096 0.0771 0.0771
Mycobacterium ulcerans proteasome PrcB 0.0329 0.3315 1
Trypanosoma brucei proteasome subunit alpha type-5, putative 0.0065 0.0426 0.0595
Trypanosoma cruzi proteasome beta 3 subunit, putative 0.0065 0.0426 0.1008
Trichomonas vaginalis Family T1, proteasome alpha subunit, threonine peptidase 0.0065 0.0426 0.0595
Brugia malayi Kringle domain containing protein 0.0035 0.0102 0.0099
Brugia malayi Proteasome subunit alpha type 7-1 0.0065 0.0426 0.0988
Leishmania major proteasome alpha 5 subunit, putative,20S proteasome subunit alpha 5, (putative) 0.0065 0.0426 0.1008
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0304 0.3041 0.9108
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0057 0.0339 0.0312
Loa Loa (eye worm) proteasome subunit beta type 2 0.0158 0.145 0.38
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0206 0.0206
Onchocerca volvulus Netrin receptor homolog 0.0099 0.0802 1
Leishmania major cathepsin L-like protease 0.0048 0.0243 0.0439
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0304 0.3041 0.9108
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0065 0.0426 0.0595
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0057 0.0339 0.084
Toxoplasma gondii heat shock protein hslv, putative 0.0065 0.0426 0.1008
Giardia lamblia Proteasome subunit beta type 4 precursor 0.0065 0.0426 0.0292
Giardia lamblia Proteasome subunit beta type 7 precursor 0.0065 0.0426 0.0292
Toxoplasma gondii proteasome subunit alpha1, putative 0.0065 0.0426 0.1008
Mycobacterium leprae proteasome (beta subunit) PrcB 0.0329 0.3315 1
Onchocerca volvulus 0.0063 0.0404 0.432
Brugia malayi cathepsin L-like precursor 0.0048 0.0243 0.0486
Trypanosoma brucei proteasome beta-1 subunit, putative 0.0065 0.0426 0.0595
Brugia malayi Cathepsin L-like precursor 0.0048 0.0243 0.0486
Trypanosoma cruzi proteasome subunit beta type-2, putative 0.0158 0.145 0.4196
Echinococcus multilocularis GPCR, family 2 0.0032 0.0066 0.0066
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0032 0.0066 0.0066
Brugia malayi Cathepsin L-like cysteine proteinase 0.0048 0.0243 0.0486
Echinococcus granulosus proteasome prosome macropain subunit beta type 0.0065 0.0426 0.0426
Plasmodium falciparum proteasome subunit alpha type-5, putative 0.0065 0.0426 0.1008
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0206 0.043
Loa Loa (eye worm) cathepsin B 0.0057 0.0339 0.0749
Schistosoma mansoni proteasome catalytic subunit 3 (T01 family) 0.0329 0.3315 1
Echinococcus multilocularis ankyrin repeat and death domain containing protein 0.0096 0.0771 0.0771
Brugia malayi Matrixin family protein 0.0107 0.0888 0.2255
Plasmodium vivax proteasome subunit beta type-3, putative 0.0065 0.0426 0.1008
Toxoplasma gondii proteasome subunit alpha type 1, putative 0.0065 0.0426 0.1008
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0096 0.0771 0.1934
Loa Loa (eye worm) hypothetical protein 0.0044 0.0202 0.0375
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0158 0.145 0.393
Plasmodium vivax ATP-dependent protease subunit ClpQ, putative 0.0065 0.0426 0.1008
Plasmodium vivax proteasome subunit beta type-5, putative 0.0329 0.3315 1
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.0061 0.0384 0.0384
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0032 0.0066 0.0066
Echinococcus granulosus proteasome subunit beta t family 0.0065 0.0426 0.0426
Loa Loa (eye worm) hypothetical protein 0.0048 0.0243 0.0486
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.01 0.0815 0.2055
Trypanosoma cruzi cysteine peptidase, putative 0.0048 0.0243 0.0439
Loa Loa (eye worm) hypothetical protein 0.0048 0.0243 0.0486
Echinococcus multilocularis cathepsin b 0.0147 0.1329 0.1329
Onchocerca volvulus 0.0048 0.0243 0.2015
Loa Loa (eye worm) integrin beta-2 0.0365 0.371 1
Echinococcus granulosus tissue type plasminogen activator 0.0035 0.0102 0.0102
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0149 0.1342 0.3439
Echinococcus multilocularis proteasome (prosome, macropain) subunit, beta 0.0158 0.145 0.145
Brugia malayi proteasome subunit alpha type 3 0.0065 0.0426 0.0988
Brugia malayi Papain family cysteine protease containing protein 0.0048 0.0243 0.0486
Leishmania major 20s proteasome beta 7 subunit, (putative) 0.0065 0.0426 0.1008
Entamoeba histolytica calcium-dependent protein kinase 2, putative 0.0065 0.0428 0.0603
Entamoeba histolytica proteasome subunit alpha type 7, putative 0.0065 0.0426 0.0595
Schistosoma mansoni proteasome subunit beta 4 (T01 family) 0.0065 0.0426 0.1108
Echinococcus granulosus death domain containing protein 0.0096 0.0771 0.0771
Leishmania major cysteine peptidase A (CPA) 0.0048 0.0243 0.0439
Plasmodium vivax proteasome subunit alpha type-2, putative 0.0065 0.0426 0.1008
Trypanosoma brucei proteasome alpha 3 subunit, putative 0.0065 0.0426 0.0595
Trypanosoma cruzi proteasome alpha 1 subunit, putative 0.0065 0.0426 0.1008
Leishmania major 20s proteasome beta 7 subunit, (putative) 0.0065 0.0426 0.1008
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0065 0.0426 0.0595
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0304 0.3041 0.9108
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0048 0.0243 0.0439
Brugia malayi Proteasome A-type and B-type family protein 0.0329 0.3315 0.8918
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0147 0.1329 0.3886
Echinococcus granulosus GPCR family 2 0.0032 0.0066 0.0066
Entamoeba histolytica proteasome subunit beta type 3, putative 0.0065 0.0426 0.0595
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0304 0.3041 0.9108
Plasmodium vivax proteasome subunit alpha type-5, putative 0.0065 0.0426 0.1008
Loa Loa (eye worm) hypothetical protein 0.0147 0.1329 0.3466
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.0161 0.1476 0.1476
Brugia malayi Hemopexin family protein 0.0063 0.0404 0.0929
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0304 0.3041 0.9108
Toxoplasma gondii proteasome subunit beta type, putative 0.0329 0.3315 1
Schistosoma mansoni proteasome catalytic subunit 1 (T01 family) 0.0065 0.0426 0.1108
Toxoplasma gondii proteasome subunit beta type 7 precursor, putative 0.0065 0.0426 0.1008
Loa Loa (eye worm) hypothetical protein 0.0057 0.0346 0.0768
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.0044 0.0202 0.042
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0048 0.0243 0.0243
Brugia malayi Cathepsin L-like precursor 0.0048 0.0243 0.0486
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.0054 0.0308 0.0664
Schistosoma mansoni proteasome subunit alpha 1 (T01 family) 0.0065 0.0426 0.1108
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0048 0.0243 0.0439
Loa Loa (eye worm) proteasome subunit beta type 1 0.0256 0.2513 0.6716
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0304 0.3041 0.9108
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0329 0.3315 1
Trypanosoma cruzi proteasome subunit alpha type-1, putative 0.0065 0.0426 0.1008
Schistosoma mansoni subfamily T1A non-peptidase homologue (T01 family) 0.0065 0.0426 0.1108
Echinococcus multilocularis proteasome (prosome, macropain) 0.0329 0.3315 0.3315
Brugia malayi Cathepsin L-like precursor 0.0048 0.0243 0.0486
Onchocerca volvulus Notchless protein homolog 0.0065 0.0426 0.4628
Loa Loa (eye worm) hypothetical protein 0.0096 0.0771 0.1934
Trypanosoma brucei proteasome alpha 7 subunit, putative 0.0065 0.0426 0.0595
Echinococcus multilocularis serine:threonine protein kinase 0.0235 0.2288 0.2288
Echinococcus multilocularis cathepsin L cysteine protease 0.0048 0.0243 0.0243
Plasmodium vivax proteasome subunit beta type-2, putative 0.0158 0.145 0.4196
Onchocerca volvulus 0.0048 0.0243 0.2015
Loa Loa (eye worm) cysteine protease 0.0048 0.0243 0.0486
Trypanosoma cruzi cysteine peptidase, putative 0.0048 0.0243 0.0439
Leishmania major 20s proteasome beta 7 subunit, (putative) 0.0065 0.0426 0.1008
Plasmodium falciparum ATP-dependent protease subunit ClpQ 0.0065 0.0426 0.1008
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0147 0.1329 0.3886
Trypanosoma brucei proteasome alpha 2 subunit, putative 0.0065 0.0426 0.0595
Echinococcus granulosus 20S proteasome subunit alpha 6 0.0065 0.0426 0.0426
Toxoplasma gondii proteasome beta subunit 0.0065 0.0426 0.1008
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0304 0.3041 0.9108
Onchocerca volvulus Matrilysin homolog 0.0098 0.0791 0.9842
Leishmania major proteasome alpha 7 subunit, putative 0.0065 0.0426 0.1008
Echinococcus multilocularis proteasome subunit alpha type 2 0.0065 0.0426 0.0426
Echinococcus granulosus proteasome prosome macropain subunit beta 0.0256 0.2513 0.2513
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0304 0.3041 0.9108
Plasmodium vivax proteasome subunit alpha type-6, putative 0.0065 0.0426 0.1008
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0147 0.1329 0.3886
Schistosoma mansoni cathepsin F (C01 family) 0.0048 0.0243 0.0545
Leishmania major cathepsin L-like protease 0.0048 0.0243 0.0439
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0304 0.3041 0.9108
Brugia malayi proteasome subunit alpha type 2 0.0065 0.0426 0.0988
Toxoplasma gondii 20S proteasome subunit beta 7, putative 0.0065 0.0426 0.1008
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0048 0.0243 0.0243
Schistosoma mansoni netrin receptor unc5 0.0096 0.0771 0.2169
Trypanosoma cruzi cysteine peptidase, putative 0.0048 0.0243 0.0439
Brugia malayi Protein kinase domain containing protein 0.0035 0.0102 0.0099
Onchocerca volvulus 0.0048 0.0243 0.2015
Schistosoma mansoni proteasome subunit beta 2 (T01 family) 0.0158 0.145 0.4261
Echinococcus multilocularis Proteasome subunit alpha type 7 0.0065 0.0426 0.0426
Schistosoma mansoni hypothetical protein 0.0069 0.0468 0.1238
Echinococcus multilocularis myosin light chain kinase, smooth muscle 0.0235 0.2288 0.2288
Trichomonas vaginalis Family T1, proteasome alpha subunit, threonine peptidase 0.0065 0.0426 0.0595
Echinococcus multilocularis proteasome (prosome, macropain) subunit, beta 0.0256 0.2513 0.2513
Brugia malayi Cathepsin L-like precursor 0.0048 0.0243 0.0486
Leishmania major proteasome beta-1 subunit, putative 0.0065 0.0426 0.1008
Schistosoma mansoni proteasome subunit beta 2 (T01 family) 0.0158 0.145 0.4261
Trypanosoma brucei proteasome subunit beta type-5, putative 0.0329 0.3315 1
Echinococcus multilocularis proteasome subunit beta type 6 0.0065 0.0426 0.0426
Giardia lamblia 20S proteasome alpha subunit 3 0.0065 0.0426 0.0292
Loa Loa (eye worm) proteasome subunit alpha type 1 0.0065 0.0426 0.0988
Trypanosoma cruzi proteasome alpha 1 subunit, putative 0.0065 0.0426 0.1008
Trypanosoma cruzi proteasome alpha 2 subunit, putative 0.0065 0.0426 0.1008

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 2.85 ug ml-1 Cytotoxicity against mouse B16F10 cells after 48 hrs by SRB assay ChEMBL. 21983331
IC50 (functional) = 3.45 ug ml-1 Cytotoxicity against human HCT15 cells after 48 hrs by SRB assay ChEMBL. 21983331
IC50 (functional) = 4.04 ug ml-1 Cytotoxicity against human A549 cells after 48 hrs by SRB assay ChEMBL. 21983331
IC50 (functional) = 10.03 ug ml-1 Cytotoxicity against human SKOV3 cells after 48 hrs by SRB assay ChEMBL. 21983331
IZ (functional) = 17 mm Antifungal activity against Candida albicans at 25 ug/ml after 48 hrs by agar disk diffusion assay ChEMBL. 21983331
IZ (functional) = 27 mm Antibacterial activity against Escherichia coli at 25 ug/ml after 24 hrs by agar disk diffusion assay ChEMBL. 21983331
MIC (functional) = 25 ug ml-1 Antibacterial activity against Escherichia coli after 24 hrs by agar disk diffusion assay ChEMBL. 21983331
MIC (functional) = 75 ug ml-1 Antifungal activity against Candida albicans after 48 hrs by agar disk diffusion assay ChEMBL. 21983331

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 21983331
Mus musculus ChEMBL23 21983331

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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