Detailed information for compound 1240651

Basic information

Technical information
  • TDR Targets ID: 1240651
  • Name: 2-[2-(phenylmethyl)quinazolin-4-yl]sulfanyl-N -(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ac etamide
  • MW: 446.588 | Formula: C24H22N4OS2
  • H donors: 1 H acceptors: 4 LogP: 5.69 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1nc2c(s1)CCCC2)CSc1nc(Cc2ccccc2)nc2c1cccc2
  • InChi: 1S/C24H22N4OS2/c29-22(28-24-26-19-12-6-7-13-20(19)31-24)15-30-23-17-10-4-5-11-18(17)25-21(27-23)14-16-8-2-1-3-9-16/h1-5,8-11H,6-7,12-15H2,(H,26,28,29)
  • InChiKey: HBXHOTRMRIBBHZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[[2-(phenylmethyl)-4-quinazolinyl]thio]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
  • 2-[[2-(benzyl)quinazolin-4-yl]thio]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
  • 2-[2-(phenylmethyl)quinazolin-4-yl]sulfanyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanamide
  • ASN 06532557
  • 2-(2-Benzyl-quinazolin-4-ylsulfanyl)-N-(4,5,6,7-tetrahydro-benzothiazol-2-yl)-acetamide
  • MLS000556735
  • SMR000173427

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucosidase, beta, acid Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens synuclein, alpha (non A4 component of amyloid precursor) Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi O-Glycosyl hydrolase family 30 protein Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein Get druggable targets OG5_129423 All targets in OG5_129423
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Glucosylceramidase homolog Get druggable targets OG5_129423 All targets in OG5_129423
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
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
Trypanosoma brucei oxidoreductase-protein, putative 0.0033 0.0294 0.0609
Trypanosoma cruzi oxidoreductase-like protein, putative 0.0033 0.0294 0.0609
Loa Loa (eye worm) hypothetical protein 0.0339 0.5616 0.5616
Leishmania major NADH-cytochrome b5 reductase, putative 0.0033 0.0294 0.0609
Trypanosoma brucei NADH-cytochrome b5 reductase, putative 0.0033 0.0294 0.0609
Toxoplasma gondii ferredoxin NADP+ oxidoreductase FNR 0.0033 0.0294 0.1306
Trypanosoma brucei NADPH-cytochrome p450 reductase, putative 0.0287 0.4713 1
Trypanosoma brucei NADH-dependent fumarate reductase, putative 0.0033 0.0294 0.0609
Loa Loa (eye worm) hypothetical protein 0.0252 0.4111 0.4111
Leishmania major cytochrome-b5 reductase, putative 0.0033 0.0294 0.0609
Mycobacterium tuberculosis Hypothetical oxidoreductase 0.0033 0.0294 1
Onchocerca volvulus 0.0252 0.4111 0.3933
Trypanosoma brucei NADH-cytochrome b5 reductase, putative 0.0033 0.0294 0.0609
Mycobacterium tuberculosis Probable oxidoreductase 0.0033 0.0294 1
Onchocerca volvulus 0.0591 1 1
Entamoeba histolytica type A flavoprotein, putative 0.011 0.1634 0.5
Leishmania major hypothetical protein, conserved 0.011 0.1634 0.3457
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0287 0.4713 1
Onchocerca volvulus Glucosylceramidase homolog 0.0205 0.3285 0.3082
Echinococcus multilocularis 0.0016 0.0007 0.0015
Leishmania major p450 reductase, putative 0.0287 0.4713 1
Loa Loa (eye worm) LBP/BPI/CETP family domain-containing protein 0.0591 1 1
Loa Loa (eye worm) hypothetical protein 0.0339 0.5616 0.5616
Echinococcus granulosus NADH cytochrome b5 reductase 3 0.0033 0.0294 0.0623
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0287 0.4713 1
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0036 0.0354 0.0737
Trypanosoma cruzi NADH-cytochrome b5 reductase, putative 0.0033 0.0294 0.0609
Onchocerca volvulus 0.0591 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.5149 1
Plasmodium vivax hypothetical protein, conserved 0.011 0.1634 0.3033
Mycobacterium leprae Conserved hypothetical protein 0.0016 0.0007 0.5
Brugia malayi diaphorase 0.0033 0.0294 0.0287
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.5149 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0036 0.0354 0.0354
Loa Loa (eye worm) CYP4Cod1 0.0036 0.0354 0.0354
Echinococcus multilocularis cytochrome b5 reductase 4 0.0033 0.0294 0.0623
Trypanosoma cruzi cytochrome P450, putative 0.0036 0.0354 0.0737
Trypanosoma brucei cytochrome P450, putative 0.0036 0.0354 0.0737
Leishmania major cytochrome P450 reductase, putative 0.0254 0.4146 0.8795
Brugia malayi FAD binding domain containing protein 0.0177 0.2806 0.2801
Plasmodium vivax flavodoxin domain containing protein 0.0254 0.4146 0.8717
Echinococcus granulosus methionine synthase reductase 0.0177 0.2806 0.5953
Leishmania major oxidoreductase-like protein 0.0033 0.0294 0.0609
Loa Loa (eye worm) flavodoxin family protein 0.011 0.1634 0.1634
Entamoeba histolytica type A flavoprotein, putative 0.011 0.1634 0.5
Brugia malayi Cytochrome P450 family protein 0.006 0.0763 0.0756
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0312 0.5149 0.5149
Trypanosoma cruzi NADH-dependent fumarate reductase, putative 0.0033 0.0294 0.0609
Echinococcus multilocularis lamin 0.0033 0.0293 0.0622
Schistosoma mansoni lamin 0.0033 0.0293 0.0607
Schistosoma mansoni cytochrome B5 0.0033 0.0294 0.0609
Trypanosoma cruzi NADH-cytochrome b5 reductase, putative 0.0033 0.0294 0.0609
Trichomonas vaginalis NADPH cytochrome P450, putative 0.011 0.1634 0.2562
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.3285 0.6055
Echinococcus granulosus cytochrome b5 reductase 4 0.0033 0.0294 0.0623
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.5149 1
Loa Loa (eye worm) hypothetical protein 0.0591 1 1
Loa Loa (eye worm) LBP/BPI/CETP family domain-containing protein 0.0339 0.5616 0.5616
Trypanosoma cruzi NADH-dependent fumarate reductase, putative 0.0033 0.0294 0.0609
Echinococcus granulosus cytochrome b5 reductase 4 0.0033 0.0294 0.0623
Onchocerca volvulus 0.0339 0.5616 0.5484
Loa Loa (eye worm) FAD binding domain-containing protein 0.0177 0.2806 0.2806
Brugia malayi LBP / BPI / CETP family, N-terminal domain containing protein 0.0591 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.3285 0.6055
Mycobacterium ulcerans flavodoxin reductase Hmp 0.0033 0.0294 0.0609
Schistosoma mansoni lamin 0.0033 0.0293 0.0607
Loa Loa (eye worm) cytochrome P450 0.0016 0.0007 0.0007
Leishmania major NADPH-cytochrome p450 reductase-like protein 0.0287 0.4713 1
Trypanosoma cruzi NADH-cytochrome b5 reductase, putative 0.0033 0.0294 0.0609
Loa Loa (eye worm) FAD binding domain-containing protein 0.0287 0.4713 0.4713
Loa Loa (eye worm) hypothetical protein 0.0339 0.5616 0.5616
Loa Loa (eye worm) diaphorase 0.0033 0.0294 0.0294
Schistosoma mansoni intermediate filament proteins 0.0033 0.0293 0.0607
Trypanosoma brucei NADH-dependent fumarate reductase, putative 0.0033 0.0294 0.0609
Loa Loa (eye worm) cytochrome P450 family protein 0.006 0.0763 0.0763
Brugia malayi flavodoxin family protein 0.0287 0.4713 0.471
Trypanosoma brucei S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase, putative 0.011 0.1634 0.3457
Trypanosoma cruzi cytochrome-b5 reductase, putative 0.0033 0.0294 0.0609
Mycobacterium tuberculosis Possible electron transfer protein FdxB 0.0033 0.0294 1
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0043 0.0472 0.0466
Brugia malayi hypothetical protein 0.0339 0.5616 0.5613
Plasmodium falciparum nitric oxide synthase, putative 0.0287 0.4713 1
Trypanosoma cruzi NADH-dependent fumarate reductase, putative 0.0033 0.0294 0.0609
Leishmania major cytochrome p450-like protein 0.0036 0.0354 0.0737
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0043 0.0472 0.0472
Onchocerca volvulus 0.0591 1 1
Leishmania major nitrate reductase, putative 0.0033 0.0294 0.0609
Brugia malayi LBP / BPI / CETP family, C-terminal domain containing protein 0.0339 0.5616 0.5613
Loa Loa (eye worm) hypothetical protein 0.0037 0.0374 0.0374
Plasmodium falciparum NADPH--cytochrome P450 reductase, putative 0.011 0.1634 0.3033
Mycobacterium tuberculosis Probable monooxygenase 0.0033 0.0294 1
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.5149 1
Trypanosoma cruzi NADH-cytochrome b5 reductase, putative 0.0033 0.0294 0.0609
Trichomonas vaginalis sulfite reductase, putative 0.0287 0.4713 0.9077
Trypanosoma brucei NADH-cytochrome b5 reductase-like protein 0.0033 0.0294 0.0609
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.003 0.003
Echinococcus granulosus lamin 0.0033 0.0293 0.0622
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0043 0.0472 0.1002
Trypanosoma brucei NADH-dependent fumarate reductase 0.0033 0.0294 0.0609
Mycobacterium ulcerans oxidoreductase 0.0033 0.0294 0.0609
Trichomonas vaginalis NADPH cytochrome P450, putative 0.011 0.1634 0.2562
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0293 0.0286
Loa Loa (eye worm) hypothetical protein 0.0252 0.4111 0.4111
Giardia lamblia Hypothetical protein 0.0254 0.4146 1
Trichomonas vaginalis glucosylceramidase, putative 0.0216 0.3476 0.646
Echinococcus multilocularis musashi 0.0033 0.0293 0.0622
Onchocerca volvulus 0.0033 0.0294 0.0001
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0293 0.0293
Trypanosoma cruzi Flavodoxin/Radical SAM superfamily/Wyosine base formation, putative 0.011 0.1634 0.3457
Trypanosoma brucei NADH-cytochrome b5 reductase, putative 0.0033 0.0294 0.0609
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.5149 1
Trypanosoma cruzi reductase, putative 0.0033 0.0294 0.0609
Trichomonas vaginalis glucosylceramidase, putative 0.0216 0.3476 0.646
Toxoplasma gondii flavodoxin domain-containing protein 0.0142 0.2201 1
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.5149 1
Trypanosoma brucei NADH-dependent fumarate reductase 0.0033 0.0294 0.0609
Schistosoma mansoni voltage-gated potassium channel 0.0047 0.0541 0.1134
Loa Loa (eye worm) hypothetical protein 0.0339 0.5616 0.5616
Toxoplasma gondii NADH-cytochrome b5 reductase 1, putative 0.0033 0.0294 0.1306
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0293 0.0293
Leishmania major NADH-dependent fumarate reductase-like protein 0.0033 0.0294 0.0609
Brugia malayi LBP / BPI / CETP family, C-terminal domain containing protein 0.0339 0.5616 0.5613
Loa Loa (eye worm) cytochrome P450 family protein 0.0036 0.0354 0.0354
Schistosoma mansoni 5-methyl tetrahydrofolate-homocysteine methyltransferase reductase 0.0177 0.2806 0.5947
Trichomonas vaginalis NADPH cytochrome P450, putative 0.011 0.1634 0.2562
Leishmania major cytochrome-b5 reductase, putative 0.0033 0.0294 0.0609
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.3285 0.6055
Onchocerca volvulus 0.0591 1 1
Plasmodium vivax NADPH-cytochrome p450 reductase, putative 0.0287 0.4713 1
Trichomonas vaginalis NADPH fad oxidoreductase, putative 0.0254 0.4146 0.7878
Trichomonas vaginalis conserved hypothetical protein 0.0252 0.4111 0.7802
Trypanosoma cruzi p450 reductase, putative 0.0033 0.0294 0.0609
Onchocerca volvulus 0.0339 0.5616 0.5484
Brugia malayi LBP / BPI / CETP family, C-terminal domain containing protein 0.0339 0.5616 0.5613
Trypanosoma cruzi NADH-cytochrome b5 reductase, putative 0.0033 0.0294 0.0609
Loa Loa (eye worm) hypothetical protein 0.0032 0.0283 0.0283
Echinococcus granulosus NADPH cytochrome P450 reductase 0.0287 0.4713 1
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0043 0.0472 0.1002
Trypanosoma cruzi NADH-dependent fumarate reductase, putative 0.0033 0.0294 0.0609
Leishmania major NADH-cytochrome b5 reductase, putative 0.0033 0.0294 0.0609
Echinococcus multilocularis NADPH dependent diflavin oxidoreductase 1 0.0287 0.4713 1
Echinococcus granulosus cytochrome P450 2K1 0.0016 0.0007 0.0015
Treponema pallidum flavodoxin 0.011 0.1634 1
Loa Loa (eye worm) hypothetical protein 0.0339 0.5616 0.5616
Trypanosoma brucei NADH-cytochrome b5 reductase, putative 0.0033 0.0294 0.0609
Mycobacterium ulcerans monooxygenase 0.0033 0.0294 0.0609
Trypanosoma brucei NADPH-dependent diflavin oxidoreductase 1 0.0287 0.4713 1
Loa Loa (eye worm) hypothetical protein 0.0252 0.4111 0.4111
Echinococcus multilocularis NADH cytochrome b5 reductase 3 0.0033 0.0294 0.0623
Echinococcus granulosus intermediate filament protein 0.0033 0.0293 0.0622
Trypanosoma cruzi NADH-dependent fumarate reductase, putative 0.0033 0.0294 0.0609
Mycobacterium ulcerans oxygenase 0.0033 0.0294 0.0609
Brugia malayi flavodoxin family protein 0.011 0.1634 0.1628
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.3285 0.6055
Trypanosoma cruzi nitrate reductase, putative 0.0033 0.0294 0.0609
Trypanosoma cruzi NADH-cytochrome b5 reductase, putative 0.0033 0.0294 0.0609
Loa Loa (eye worm) LBP/BPI/CETP family domain-containing protein 0.0339 0.5616 0.5616
Brugia malayi hypothetical protein 0.0339 0.5616 0.5613
Onchocerca volvulus 0.0591 1 1
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0287 0.4713 1
Loa Loa (eye worm) hypothetical protein 0.0287 0.4713 0.4713
Brugia malayi intermediate filament protein 0.0033 0.0293 0.0286
Schistosoma mansoni diflavin oxidoreductase 0.0142 0.2201 0.4662
Loa Loa (eye worm) hypothetical protein 0.0033 0.0293 0.0293
Trypanosoma cruzi cytochrome-b5 reductase, putative 0.0033 0.0294 0.0609
Giardia lamblia Nitric oxide synthase, inducible 0.0254 0.4146 1
Onchocerca volvulus 0.0591 1 1
Trypanosoma cruzi NADH-dependent fumarate reductase, putative 0.0033 0.0294 0.0609
Entamoeba histolytica type A flavoprotein, putative 0.011 0.1634 0.5
Trypanosoma cruzi NADPH-dependent FMN/FAD containing oxidoreductase, putative 0.0287 0.4713 1
Brugia malayi Cytochrome P450 family protein 0.0036 0.0354 0.0347
Mycobacterium ulcerans formate dehydrogenase H FdhF 0.0287 0.4713 1
Mycobacterium ulcerans flavodoxin oxidoreductase 0.0033 0.0294 0.0609
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.3285 0.6055
Echinococcus granulosus lamin dm0 0.0033 0.0293 0.0622
Echinococcus multilocularis NADPH cytochrome P450 reductase 0.0287 0.4713 1
Schistosoma mansoni cytochrome P450 reductase 0.0287 0.4713 1
Trypanosoma brucei NADH-cytochrome b5 reductase, putative 0.0033 0.0294 0.0609
Mycobacterium tuberculosis Possible oxygenase 0.0033 0.0294 1
Echinococcus multilocularis methionine synthase reductase 0.0177 0.2806 0.5953
Trypanosoma cruzi Flavodoxin/Radical SAM superfamily/Wyosine base formation, putative 0.011 0.1634 0.3457
Loa Loa (eye worm) cytochrome b5 reductase 4 0.0033 0.0294 0.0294
Echinococcus multilocularis lamin dm0 0.0033 0.0293 0.0622
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.3285 0.6055
Trypanosoma cruzi NADPH--cytochrome P450 reductase, putative 0.011 0.1634 0.3457
Mycobacterium leprae putative cytochrome p450 0.0016 0.0007 0.5
Brugia malayi Cytochrome P450 family protein 0.0036 0.0354 0.0347
Trypanosoma brucei nitrate reductase, putative 0.0033 0.0294 0.0609
Loa Loa (eye worm) hypothetical protein 0.002 0.0074 0.0074
Trichomonas vaginalis NADPH cytochrome P450, putative 0.011 0.1634 0.2562
Brugia malayi hypothetical protein 0.0252 0.4111 0.4107
Schistosoma mansoni NADPH flavin oxidoreductase 0.0144 0.2239 0.4742
Trypanosoma brucei NADH-cytochrome b5 reductase, putative 0.0033 0.0294 0.0609
Trypanosoma cruzi oxidoreductase-protein, putative 0.0033 0.0294 0.0609
Schistosoma mansoni voltage-gated potassium channel 0.0047 0.0541 0.1134
Brugia malayi Cytochrome b5-like Heme/Steroid binding domain containing protein 0.0033 0.0294 0.0287
Echinococcus granulosus NADPH dependent diflavin oxidoreductase 1 0.0287 0.4713 1
Entamoeba histolytica type A flavoprotein, putative 0.011 0.1634 0.5
Brugia malayi LBP / BPI / CETP family, C-terminal domain containing protein 0.0591 1 1
Leishmania major reductase, putative 0.0033 0.0294 0.0609
Trypanosoma cruzi cytochrome P450, putative 0.0036 0.0354 0.0737
Leishmania major NADH-dependent fumarate reductase, putative 0.0033 0.0294 0.0609
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0312 0.5149 0.5146
Mycobacterium ulcerans electron transfer protein FdxB 0.0033 0.0294 0.0609
Schistosoma mansoni NADH-cytochrome B5 reductase 0.0033 0.0294 0.0609
Leishmania major NADH-cytochrome b5 reductase, putative 0.0033 0.0294 0.0609
Plasmodium falciparum S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase, putative 0.011 0.1634 0.3033
Brugia malayi FAD binding domain containing protein 0.0287 0.4713 0.471
Brugia malayi LBP/BPI 0.0252 0.4111 0.4107
Entamoeba histolytica type A flavoprotein, putative 0.011 0.1634 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.3285 0.6055
Chlamydia trachomatis sulfite reductase 0.0177 0.2806 1
Loa Loa (eye worm) hypothetical protein 0.0252 0.4111 0.4111
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0287 0.4713 1
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.003 0.0023
Onchocerca volvulus 0.0591 1 1
Trypanosoma cruzi p450 reductase, putative 0.0287 0.4713 1
Onchocerca volvulus 0.0591 1 1
Toxoplasma gondii flavodoxin domain-containing protein 0.0142 0.2201 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.2387 uM PubChem BioAssay. qHTS of alpha-syn Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 6.5104 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) = 7.9433 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of N370S glucocerebrosidase as a Potential Chaperone Treatment of Gaucher Disease. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1473, AID2293, AID2577, AID2578, AID2587, AID2588, AID2589, AID2590, AID2592, AID2593, AID2595, AID2596, AID2597, AID2613, AID2671, AID488845] ChEMBL. No reference
Potency (functional) 11.6891 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Small Molecule Inhibitors of Mitochondrial Division or Activators of Mitochondrial Fusion. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 20.5962 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.1093 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] ChEMBL. No reference
Potency (functional) 28.1838 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 32.6427 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398] ChEMBL. No reference
Potency (binding) 39.8107 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 44.6684 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 75.6863 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Saccharomyces cerevisiae ChEMBL23
Plasmodium falciparum ChEMBL23
Homo sapiens ChEMBL23

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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