Detailed information for compound 314993

Basic information

Technical information
  • TDR Targets ID: 314993
  • Name: 3'-ethylspiro[2H-benzo[f][1]benzothiole-3,5'- imidazolidine]-2',4,4',9-tetrone
  • MW: 328.342 | Formula: C16H12N2O4S
  • H donors: 1 H acceptors: 4 LogP: 1.05 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN1C(=O)NC2(C1=O)CSC1=C2C(=O)c2c(C1=O)cccc2
  • InChi: 1S/C16H12N2O4S/c1-2-18-14(21)16(17-15(18)22)7-23-13-10(16)11(19)8-5-3-4-6-9(8)12(13)20/h3-6H,2,7H2,1H3,(H,17,22)
  • InChiKey: YUGOMFDAJWPELE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3'-ethylspiro[2H-benzo[f]benzothiophene-3,5'-imidazolidine]-2',4,4',9-tetrone
  • 3'-ethylspiro[2H-benzo[f]benzothiophene-3,5'-imidazolidine]-2',4,4',9-diquinone

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
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0058 0.0433 1
Giardia lamblia DNA polymerase delta, catalytic subunit 0.0078 0.0657 0.2697
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0022 0.0036 0.0222
Giardia lamblia DNA polymerase epsilon, catalytic subunit 0.0078 0.0657 0.2697
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0035 0.0179 0.2242
Mycobacterium tuberculosis Probable reductase 0.0115 0.1063 0.6501
Schistosoma mansoni lamin 0.0026 0.0081 0.028
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0058 0.0433 0.1734
Echinococcus multilocularis calpain 0.0022 0.0036 0.0036
Echinococcus multilocularis lamin 0.0026 0.0081 0.0081
Onchocerca volvulus DNA polymerase epsilon catalytic subunit A homolog 0.0078 0.0657 0.1438
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0058 0.0433 0.1187
Trypanosoma brucei DNA polymerase epsilon catalytic subunit, putative 0.0078 0.0657 0.4013
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0179 0.1094
Echinococcus multilocularis calpain family protein 1, d 0.0052 0.0365 0.0365
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0043 0.0264 0.1135
Loa Loa (eye worm) calpain family protein 1 0.0052 0.0365 0.0894
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.0081 0.035
Toxoplasma gondii DNA polymerase 0.0078 0.0657 0.2229
Loa Loa (eye worm) calpain 5 0.0022 0.0036 0.0089
Onchocerca volvulus DNA polymerase homolog 0.0078 0.0657 0.1438
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0058 0.0433 0.2647
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0043 0.0264 0.1135
Echinococcus multilocularis hypothetical protein 0.0022 0.0036 0.0036
Plasmodium vivax DNA polymerase epsilon, catalytic subunit a, putative 0.0078 0.0657 0.2711
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0091 0.0798 0.274
Brugia malayi DNA polymerase family B containing protein 0.0078 0.0657 0.2825
Loa Loa (eye worm) DNA polymerase epsilon catalytic subunit 0.0044 0.0273 0.067
Mycobacterium tuberculosis Probable oxidoreductase 0.0158 0.1532 0.9365
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0179 0.1548
Trichomonas vaginalis CAMK family protein kinase 0.0091 0.0798 0.6901
Echinococcus multilocularis DNA polymerase zeta catalytic subunit 0.0078 0.0657 0.0657
Loa Loa (eye worm) glutathione reductase 0.0167 0.1636 0.4009
Brugia malayi DNA polymerase family B, exonuclease domain containing protein 0.0078 0.0657 0.2825
Plasmodium falciparum thioredoxin reductase 0.0167 0.1636 1
Trypanosoma brucei DNA polymerase delta catalytic subunit, putative 0.0078 0.0657 0.4013
Brugia malayi Glycosyl hydrolases family 31 protein 0.0157 0.1525 0.6562
Trichomonas vaginalis DNA polymerase delta catalytic subunit, putative 0.0078 0.0657 0.5678
Trichomonas vaginalis CAMK family protein kinase 0.0091 0.0798 0.6901
Trypanosoma cruzi calpain cysteine peptidase, putative 0.0022 0.0036 0.0222
Loa Loa (eye worm) hypothetical protein 0.0035 0.0178 0.0437
Trypanosoma brucei glucosidase, putative 0.0035 0.0179 0.1094
Trypanosoma cruzi trypanothione reductase, putative 0.0167 0.1636 1
Brugia malayi DNA polymerase delta catalytic subunit 0.0078 0.0657 0.2825
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0035 0.0179 0.2242
Loa Loa (eye worm) intermediate filament protein 0.0026 0.0081 0.02
Loa Loa (eye worm) DNA polymerase epsilon catalytic subunit 0.0035 0.0178 0.0437
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0035 0.0179 0.1548
Trichomonas vaginalis CAMK family protein kinase 0.0091 0.0798 0.6901
Schistosoma mansoni calpain (C02 family) 0.0022 0.0036 0.0125
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0224 0.2254 0.5524
Plasmodium falciparum glutathione reductase 0.0058 0.0433 0.1747
Entamoeba histolytica protein kinase, putative 0.0022 0.004 0.0496
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0058 0.0433 0.2647
Loa Loa (eye worm) hypothetical protein 0.0074 0.0606 0.1485
Echinococcus multilocularis neutral alpha glucosidase AB 0.0035 0.0179 0.0179
Loa Loa (eye worm) hypothetical protein 0.0052 0.0365 0.0894
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0058 0.0433 0.5
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0058 0.0433 0.2647
Echinococcus multilocularis dna polymerase epsilon catalytic subunit a 0.0078 0.0657 0.0657
Trichomonas vaginalis DNA polymerase II, putative 0.0124 0.1156 1
Entamoeba histolytica DNA polymerase delta catalytic subunit, putative 0.0078 0.0657 0.8228
Plasmodium falciparum DNA polymerase epsilon catalytic subunit A, putative 0.0044 0.0273 0.0651
Trypanosoma cruzi DNA polymerase I alpha catalytic subunit, putative 0.0124 0.1156 0.7068
Leishmania major DNA polymerase zeta catalytic subunit, putative 0.0035 0.0178 0.109
Giardia lamblia NADH oxidase lateral transfer candidate 0.0058 0.0433 0.1778
Brugia malayi glutathione reductase 0.0167 0.1636 0.7039
Trypanosoma cruzi DNA polymerase delta catalytic subunit, putative 0.0035 0.0178 0.109
Echinococcus granulosus dna polymerase epsilon catalytic subunit a 0.0078 0.0657 0.2254
Brugia malayi serine/threonine-protein kinase plk-2 0.0091 0.0798 0.3434
Echinococcus multilocularis lamin dm0 0.0026 0.0081 0.0081
Loa Loa (eye worm) hypothetical protein 0.0052 0.0365 0.0894
Onchocerca volvulus 0.0052 0.0365 0.0708
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0167 0.1636 1
Trypanosoma cruzi DNA polymerase zeta catalytic subunit, putative 0.0035 0.0178 0.109
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0179 0.1548
Echinococcus granulosus lamin dm0 0.0026 0.0081 0.028
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0179 0.1548
Schistosoma mansoni DNA polymerase alpha catalytic subunit 0.0106 0.0963 0.3305
Plasmodium falciparum thioredoxin reductase 0.0058 0.0433 0.1747
Brugia malayi Thioredoxin reductase 0.0167 0.1636 0.7039
Plasmodium vivax glutathione reductase, putative 0.0167 0.1636 0.6992
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0058 0.0433 0.2647
Echinococcus granulosus neutral alpha glucosidase AB 0.0035 0.0179 0.0614
Brugia malayi follicle stimulating hormone receptor 0.0224 0.2254 0.97
Echinococcus multilocularis calpain 7 (C02 family) 0.0022 0.0036 0.0036
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0179 0.1094
Trichomonas vaginalis DNA polymerase alpha catalytic subunit, putative 0.0078 0.0657 0.5678
Trypanosoma brucei polo-like protein kinase 0.0091 0.0798 0.4878
Schistosoma mansoni DNA polymerase zeta catalytic subunit 0.0078 0.0657 0.2254
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0022 0.0036 0.0222
Giardia lamblia Kinase, PLK 0.0091 0.0798 0.3278
Loa Loa (eye worm) hypothetical protein 0.0044 0.0273 0.067
Echinococcus granulosus calpain A 0.0078 0.0647 0.2222
Loa Loa (eye worm) calpain family protein 1 0.0074 0.0606 0.1485
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0058 0.0433 0.2647
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.0081 0.02
Trichomonas vaginalis CAMK family protein kinase 0.0045 0.0292 0.2522
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0022 0.0036 0.0222
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0074 0.0606 0.208
Entamoeba histolytica DNA polymerase zeta catalytic subunit, putative 0.0035 0.0178 0.2235
Trypanosoma brucei calpain-like protein, putative 0.0022 0.0036 0.0222
Treponema pallidum NADH oxidase 0.0058 0.0433 0.5
Onchocerca volvulus Serine\/threonine kinase homolog 0.0091 0.0798 0.1792
Loa Loa (eye worm) DNA-directed DNA polymerase III 0.0078 0.0657 0.1609
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0022 0.0036 0.0222
Trypanosoma cruzi kinesin, putative 0.0022 0.0036 0.0222
Trichomonas vaginalis mercuric reductase, putative 0.0058 0.0433 0.3745
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0058 0.0433 0.2647
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0058 0.0433 0.2647
Loa Loa (eye worm) hypothetical protein 0.0074 0.0606 0.1485
Schistosoma mansoni DNA polymerase epsilon catalytic subunit 0.0078 0.0657 0.2254
Brugia malayi calpain family protein 1 0.0074 0.0606 0.2607
Trypanosoma brucei cysteine peptidase, Clan CA, family C2, putative 0.0022 0.0036 0.0222
Echinococcus granulosus family C2 unassigned peptidase C02 family 0.0078 0.0647 0.2222
Leishmania major alpha glucosidase II subunit, putative 0.0035 0.0179 0.1094
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0115 0.1063 0.6501
Trypanosoma cruzi polo-like protein kinase, putative 0.0091 0.0798 0.4878
Trypanosoma brucei trypanothione reductase 0.0167 0.1636 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0115 0.1063 0.6501
Leishmania major kinesin, putative 0.0022 0.0036 0.0222
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0022 0.0036 0.0222
Echinococcus granulosus thioredoxin glutathione reductase 0.0167 0.1636 0.5616
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0022 0.0036 0.0222
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0058 0.0433 1
Onchocerca volvulus DNA polymerase alpha catalytic subunit homolog 0.039 0.408 1
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0058 0.0433 0.0433
Trichomonas vaginalis conserved hypothetical protein 0.0035 0.0178 0.1542
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0058 0.0433 0.1747
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0058 0.0433 0.2647
Echinococcus multilocularis musashi 0.0026 0.0081 0.0081
Trypanosoma cruzi polo-like protein kinase, putative 0.0091 0.0798 0.4878
Trypanosoma brucei kinesin, putative 0.0022 0.0036 0.0222
Trichomonas vaginalis CAMK family protein kinase 0.0091 0.0798 0.6901
Trichomonas vaginalis maltase-glucoamylase, putative 0.0035 0.0179 0.1548
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0022 0.0036 0.0222
Plasmodium vivax thioredoxin reductase, putative 0.0167 0.1636 0.6992
Trichomonas vaginalis sucrase-isomaltase, putative 0.0035 0.0179 0.1548
Loa Loa (eye worm) hypothetical protein 0.0026 0.0076 0.0187
Plasmodium vivax DNA polymerase alpha, putative 0.023 0.2324 1
Entamoeba histolytica serine/threonine protein kinase, putative 0.0091 0.0798 1
Plasmodium falciparum DNA polymerase alpha catalytic subunit A 0.008 0.0678 0.3429
Schistosoma mansoni calpain-7 (C02 family) 0.0022 0.0036 0.0125
Echinococcus granulosus calpain 0.0022 0.0036 0.0125
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0157 0.1525 0.3737
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0058 0.0433 0.1734
Trypanosoma cruzi DNA polymerase delta catalytic subunit, putative 0.0078 0.0657 0.4013
Trichomonas vaginalis DNA polymerase alpha catalytic subunit, putative 0.0124 0.1156 1
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) 0.0078 0.0647 0.0647
Plasmodium falciparum DNA polymerase delta catalytic subunit 0.0078 0.0657 0.3281
Leishmania major DNA polymerase delta catalytic subunit, putative 0.0078 0.0657 0.4013
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0058 0.0433 0.2647
Schistosoma mansoni alpha-glucosidase 0.0135 0.1284 0.4408
Echinococcus granulosus DNA polymerase zeta catalytic subunit 0.0078 0.0657 0.2254
Schistosoma mansoni Mername-AA248 (C02 family) 0.0022 0.0036 0.0125
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0179 0.1548
Toxoplasma gondii NADPH-glutathione reductase 0.0058 0.0433 0.1187
Entamoeba histolytica DNA polymerase alpha catalytic subunit, putative 0.008 0.0678 0.8497
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0058 0.0433 0.2647
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0058 0.0433 0.5
Schistosoma mansoni alpha glucosidase 0.0035 0.0179 0.0614
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0058 0.0433 0.1486
Leishmania major trypanothione reductase 0.0167 0.1636 1
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0058 0.0433 0.1747
Loa Loa (eye worm) hypothetical protein 0.0026 0.0081 0.02
Trichomonas vaginalis DNA polymerase zeta catalytic subunit, putative 0.0078 0.0657 0.5678
Trypanosoma brucei antigen, putative 0.0022 0.0036 0.0222
Trypanosoma brucei DNA polymerase zeta catalytic subunit, putative 0.0078 0.0657 0.4013
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0078 0.0647 0.2222
Schistosoma mansoni calpain C (C02 family) 0.0022 0.0036 0.0125
Brugia malayi calpain 7 0.0022 0.0036 0.0156
Loa Loa (eye worm) hypothetical protein 0.0035 0.0178 0.0437
Trypanosoma cruzi trypanothione reductase, putative 0.0058 0.0433 0.2647
Schistosoma mansoni intermediate filament proteins 0.0026 0.0081 0.028
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0058 0.0433 1
Plasmodium vivax DNA polymerase delta catalytic subunit, putative 0.0078 0.0657 0.2711
Trypanosoma cruzi DNA polymerase epsilon catalytic subunit, putative 0.0078 0.0657 0.4013
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0058 0.0433 0.2647
Brugia malayi Glycosyl hydrolases family 31 protein 0.0035 0.0179 0.077
Echinococcus granulosus DNA polymerase delta catalytic subunit 0.0078 0.0657 0.2254
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0091 0.0798 0.1956
Schistosoma mansoni lamin 0.0026 0.0081 0.028
Toxoplasma gondii DNA polymerase family B protein 0.0078 0.0657 0.2229
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0158 0.1532 0.9365
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0058 0.0433 0.2647
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0058 0.0433 0.1863
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0078 0.0647 0.2222
Plasmodium vivax DNA polymerase zeta catalytic subunit, putative 0.0078 0.0657 0.2711
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0022 0.0036 0.0222
Echinococcus granulosus calpain 5 0.0022 0.0036 0.0125
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0035 0.0179 0.0003
Leishmania major calpain, putative,cysteine peptidase, Clan CA, family C2, putative 0.0022 0.0036 0.0222
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0035 0.0179 0.1548
Trypanosoma brucei calpain-like protein, putative 0.0022 0.0036 0.0222
Loa Loa (eye worm) hypothetical protein 0.0044 0.0273 0.067
Brugia malayi calpain family protein 1 0.0074 0.0606 0.2607
Trichomonas vaginalis glutathione reductase, putative 0.0058 0.0433 0.3745
Echinococcus granulosus intermediate filament protein 0.0026 0.0081 0.028
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0022 0.0036 0.0222
Schistosoma mansoni DNA polymerase delta catalytic subunit 0.0078 0.0657 0.2254
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0058 0.0433 0.2647
Onchocerca volvulus DNA polymerase delta catalytic subunit homolog 0.0078 0.0657 0.1438
Trichomonas vaginalis CAMK family protein kinase 0.0045 0.0292 0.2522
Echinococcus granulosus calpain A 0.0022 0.0036 0.0125
Entamoeba histolytica calpain large subunit domain III containing protein 0.0022 0.0036 0.0455
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0158 0.1532 0.9365
Trypanosoma cruzi kinesin, putative 0.0022 0.0036 0.0222
Schistosoma mansoni alpha-glucosidase 0.0135 0.1284 0.4408
Echinococcus multilocularis DNA polymerase alpha catalytic subunit 0.0284 0.2913 0.2913
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0115 0.1063 0.6501
Leishmania major DNA polymerase epsilon catalytic subunit, putative 0.0078 0.0657 0.4013
Echinococcus granulosus DNA polymerase alpha catalytic subunit 0.0284 0.2913 1
Echinococcus granulosus lysosomal alpha glucosidase 0.0157 0.1525 0.5235
Plasmodium falciparum glutathione reductase 0.0167 0.1636 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0115 0.1063 0.6501
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0058 0.0433 0.2647
Echinococcus multilocularis lysosomal alpha glucosidase 0.0157 0.1525 0.1525
Brugia malayi intermediate filament protein 0.0026 0.0081 0.035
Toxoplasma gondii DNA polymerase (pol2) superfamily protein 0.023 0.2324 1
Echinococcus multilocularis calpain 5 0.0022 0.0036 0.0036
Loa Loa (eye worm) hypothetical protein 0.039 0.408 1
Trichomonas vaginalis CAMK family protein kinase 0.0091 0.0798 0.6901
Schistosoma mansoni DNA polymerase alpha catalytic subunit 0.0284 0.2913 1
Schistosoma mansoni kinase 0.0046 0.0305 0.1046
Loa Loa (eye worm) thioredoxin reductase 0.0167 0.1636 0.4009
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0058 0.0433 0.5
Loa Loa (eye worm) calpain 0.0022 0.0036 0.0089
Trypanosoma brucei calpain-like protein, putative 0.0022 0.0036 0.0222
Brugia malayi DNA polymerase alpha catalytic subunit 0.023 0.2324 1
Echinococcus multilocularis DNA polymerase delta catalytic subunit 0.0078 0.0657 0.0657
Schistosoma mansoni calpain-7 (C02 family) 0.0022 0.0036 0.0125
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0022 0.0036 0.0222
Echinococcus multilocularis lysosomal alpha glucosidase 0.0157 0.1525 0.1525
Brugia malayi calpain 5 0.0022 0.0036 0.0156
Trypanosoma cruzi DNA polymerase epsilon catalytic subunit, putative 0.0078 0.0657 0.4013
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0158 0.1532 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0035 0.0179 0.0439
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0022 0.0036 0.0222
Echinococcus multilocularis calpain A 0.0078 0.0647 0.0647
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0179 0.1548
Trichomonas vaginalis DNA polymerase alpha catalytic subunit, putative 0.0044 0.0273 0.2364
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0115 0.1063 0.6501
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0058 0.0433 0.2647
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0022 0.0036 0.0222
Echinococcus multilocularis thioredoxin glutathione reductase 0.0167 0.1636 0.1636
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0091 0.0798 0.4878
Leishmania major DNA polymerase I alpha catalytic subunit, putative 0.0124 0.1156 0.7068
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0091 0.0798 0.0798
Echinococcus granulosus lamin 0.0026 0.0081 0.028
Toxoplasma gondii thioredoxin reductase 0.0167 0.1636 0.6793
Trypanosoma brucei DNA polymerase alpha catalytic subunit 0.0124 0.1156 0.7068
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0058 0.0433 0.2647
Schistosoma mansoni serine/threonine protein kinase 0.0091 0.0798 0.274
Echinococcus granulosus calpain 7 C02 family 0.0022 0.0036 0.0125
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0058 0.0433 0.2647
Trypanosoma brucei calpain-like protein, putative 0.0022 0.0036 0.0222
Giardia lamblia DNA polymerase alpha subunit A 0.024 0.2435 1
Onchocerca volvulus 0.0091 0.0796 0.1786
Trichomonas vaginalis CAMK family protein kinase 0.0091 0.0798 0.6901
Trichomonas vaginalis CAMK family protein kinase 0.0091 0.0798 0.6901
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0058 0.0433 0.1486

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 0.116 uM Inhibitory concentration of the compound against MCF-7 human breast carcinoma cell line ChEMBL. 15715481
IC50 (functional) = 0.116 uM Inhibitory concentration of the compound against MCF-7 human breast carcinoma cell line ChEMBL. 15715481
IC50 (functional) = 0.203 uM Inhibitory concentration of the compound against SW 620 human colon carcinoma cell line ChEMBL. 15715481
IC50 (functional) = 0.203 uM Inhibitory concentration of the compound against SW 620 human colon carcinoma cell line ChEMBL. 15715481

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 15715481

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

Annotated phenotypes:

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

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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