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