Detailed information for compound 1882566

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 407.507 | Formula: C18H21N3O4S2
  • H donors: 0 H acceptors: 4 LogP: 2.21 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)S(=O)(=O)/N=C(/N1CCN(C1)S(=O)(=O)c1ccccc1)\C
  • InChi: 1S/C18H21N3O4S2/c1-15-8-10-17(11-9-15)26(22,23)19-16(2)20-12-13-21(14-20)27(24,25)18-6-4-3-5-7-18/h3-11H,12-14H2,1-2H3/b19-16+
  • InChiKey: ZPUPGQSMGFZRIV-KNTRCKAVSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Trypanosoma brucei gambiense ATP-dependent phosphofructokinase,6-phospho-1-fructokinase No references
Homo sapiens chromobox homolog 1 Starlite/ChEMBL No references
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal Starlite/ChEMBL No references
Homo sapiens l(3)mbt-like 1 (Drosophila) Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Entamoeba histolytica phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni hypothetical protein Get druggable targets OG5_130415 All targets in OG5_130415
Candida albicans phosphofructokinase beta-subunit that can functionally substitute for S. cerevisiae PFK2 (YMR205C) Get druggable targets OG5_126758 All targets in OG5_126758
Brugia malayi Intermediate filament tail domain containing 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 6 phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Echinococcus multilocularis endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
Brugia malayi phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Leishmania braziliensis ATP-dependent phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Brugia malayi Heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Trypanosoma congolense ATP-dependent 6-phosphofructokinase, glycosomal Get druggable targets OG5_126758 All targets in OG5_126758
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K00850 6-phosphofructokinase [EC2.7.1.11], putative Get druggable targets OG5_126758 All targets in OG5_126758
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Trypanosoma brucei gambiense ATP-dependent phosphofructokinase,6-phospho-1-fructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal Get druggable targets OG5_126758 All targets in OG5_126758
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase Get druggable targets OG5_126758 All targets in OG5_126758
Leishmania major ATP-dependent phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) Get druggable targets OG5_126758 All targets in OG5_126758
Schistosoma japonicum Chromobox protein homolog 5, putative Get druggable targets OG5_129545 All targets in OG5_129545
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins 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
Candida albicans hypothetical protein Get druggable targets OG5_126758 All targets in OG5_126758
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus 6 phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Leishmania mexicana 6-phospho-1-fructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Schistosoma japonicum Lethal(3)malignant brain tumor-like 4 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
Candida albicans phosphofructokinase alpha subunit that can functionally substitute for S. cerevisiae PFK1 (YGR240C) Get druggable targets OG5_126758 All targets in OG5_126758
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Heterochromatin protein 1 homolog Get druggable targets OG5_129545 All targets in OG5_129545
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania donovani ATP-dependent 6-phosphofructokinase, glycosomal Get druggable targets OG5_126758 All targets in OG5_126758
Candida albicans phosphofructokinase alpha subunit that can functionally substitute for S. cerevisiae PFK1 (YGR240C) Get druggable targets OG5_126758 All targets in OG5_126758
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Theileria parva hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus granulosus endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) Get druggable targets OG5_126758 All targets in OG5_126758
Schistosoma mansoni 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal Get druggable targets OG5_126758 All targets in OG5_126758
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Onchocerca volvulus Get druggable targets OG5_129545 All targets in OG5_129545
Candida albicans phosphofructokinase beta-subunit that can functionally substitute for S. cerevisiae PFK2 (YMR205C) Get druggable targets OG5_126758 All targets in OG5_126758
Loa Loa (eye worm) heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma japonicum expressed 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
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Mycobacterium ulcerans 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Trichomonas vaginalis phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Schistosoma japonicum Lethal(3)malignant brain tumor-like 3 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
Schistosoma japonicum ko:K07611 lamin, putative 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
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Entamoeba histolytica phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Entamoeba histolytica phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum ATP-dependent phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.0456 0.3555 0.5531
Mycobacterium ulcerans carbamoyl phosphate synthase large subunit 0.0103 0.0486 0.0776
Echinococcus granulosus histone acetyltransferase MYST2 0.0066 0.016 0.007
Schistosoma mansoni aspartate carbamoyltransferase 0.0103 0.0486 0.0399
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0162 0.1 0.0927
Loa Loa (eye worm) MBCTL1 0.0066 0.016 0.0166
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.0456 0.3555 0.5531
Plasmodium falciparum biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.0866 0.7123 1
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0131 0.0732 0.1516
Toxoplasma gondii pyruvate carboxylase 0.0456 0.3555 0.3405
Mycobacterium tuberculosis Probable pyruvate carboxylase Pca (pyruvic carboxylase) 0.0456 0.3555 1
Loa Loa (eye worm) carboxyl transferase domain-containing protein 0.1154 0.9635 1
Trichomonas vaginalis chromobox protein, putative 0.0084 0.0322 0.4396
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0131 0.0732 0.0259
Mycobacterium ulcerans acetyl/propionyl CoA carboxylase subunit beta 0.0162 0.1 0.2322
Trichomonas vaginalis phosphofructokinase, putative 0.0131 0.0732 1
Loa Loa (eye worm) 6-phosphofructokinase 0.0131 0.0732 0.076
Echinococcus multilocularis chromobox protein 1 0.0084 0.0322 0.0233
Brugia malayi 6-phosphofructokinase 0.0131 0.0732 0.076
Echinococcus multilocularis acetyl coenzyme A carboxylase 1 0.1196 1 1
Leishmania major 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0162 0.1 0.079
Leishmania major propionyl-coa carboxylase beta chain, putative 0.0162 0.1 0.079
Chlamydia trachomatis biotin carboxylase 0.0414 0.319 1
Mycobacterium ulcerans 6-phosphofructokinase 0.0131 0.0732 0.1516
Leishmania major methylcrotonoyl-coa carboxylase biotinylated subunitprotein-like protein 0.0456 0.3555 0.3405
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.0456 0.3555 0.3226
Toxoplasma gondii acetyl-coA carboxylase ACC2 0.1196 1 1
Onchocerca volvulus 0.0058 0.0091 1
Echinococcus multilocularis chromobox protein 1 0.0084 0.0322 0.0233
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0051 0.0031 0.343
Trichomonas vaginalis chromobox protein, putative 0.0084 0.0322 0.4396
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0058 0.0091 1
Mycobacterium tuberculosis Probable propionyl-CoA carboxylase beta chain 5 AccD5 (pccase) (propanoyl-CoA:carbon dioxide ligase) 0.0162 0.1 0.2322
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0227 0.1565 0.1488
Schistosoma mansoni chromobox protein 0.0084 0.0322 0.0233
Loa Loa (eye worm) heterochromatin protein 1 0.0084 0.0322 0.0334
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0031 0.0426
Echinococcus multilocularis propionyl coenzyme A carboxylase beta chain 0.0162 0.1 0.0918
Mycobacterium ulcerans acetyl-coenzyme a carboxylase carboxyl transferase (subunit beta) AccD3 0.0162 0.1 0.2322
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0066 0.016 0.0166
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain, AccA2 0.0456 0.3555 1
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 5 AccD5 0.0162 0.1 0.2322
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0066 0.016 0.007
Loa Loa (eye worm) hypothetical protein 0.0058 0.0091 0.0094
Toxoplasma gondii acetyl-CoA carboxylase ACC1 0.1196 1 1
Entamoeba histolytica acetyl-coA carboxylase, putative 0.0204 0.1365 1
Trichomonas vaginalis phosphofructokinase, putative 0.0131 0.0732 1
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.0456 0.3555 0.3226
Mycobacterium leprae ACETYL/PROPIONYL-CoA CARBOXYLASE (BETA SUBUNIT) ACCD6 0.0162 0.1 0.095
Giardia lamblia Acetyl-CoA carboxylase/pyruvate carboxylase fusion protein, putative 0.0204 0.1365 0.5
Toxoplasma gondii carbamoylphosphate synthetase 0.0103 0.0486 0.0264
Schistosoma mansoni 6-phosphofructokinase 0.0131 0.0732 0.0647
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0228 0.0138
Schistosoma mansoni pyruvate carboxylase 0.0456 0.3555 0.3496
Schistosoma mansoni acetyl-CoA carboxylase 0.1196 1 1
Loa Loa (eye worm) 6-phosphofructokinase 0.0131 0.0732 0.076
Mycobacterium leprae Probable propyonyl-CoA carboxylase beta chain 4 AccD4 (Pccase) 0.0162 0.1 0.095
Leishmania major acetyl-CoA carboxylase, putative 0.1196 1 1
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0228 0.0138
Leishmania major ATP-dependent phosphofructokinase 0.0131 0.0732 0.0516
Brugia malayi 6-phosphofructokinase 0.0131 0.0732 0.076
Leishmania major carbamoyl-phosphate synthase, putative 0.0103 0.0486 0.0264
Echinococcus multilocularis histone acetyltransferase MYST2 0.0066 0.016 0.007
Mycobacterium leprae Probable propionyl-CoA carboxylase beta chain 5 AccD5 (PCCASE) (PROPANOYL-COA:CARBON DIOXIDE LIGASE) 0.0162 0.1 0.095
Brugia malayi mbt repeat family protein 0.0058 0.0091 0.0094
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0131 0.0732 0.5
Trypanosoma cruzi acetyl-CoA carboxylase, putative 0.0162 0.1 0.0927
Echinococcus multilocularis 6 phosphofructokinase 0.0131 0.0732 0.0647
Mycobacterium ulcerans pyruvate carboxylase 0.0456 0.3555 1
Trichomonas vaginalis phosphofructokinase, putative 0.0131 0.0732 1
Schistosoma mansoni propionyl-CoA carboxylase beta chain mitochondrial precursor 0.0162 0.1 0.0918
Leishmania major carboxylase, putative 0.0456 0.3555 0.3405
Mycobacterium ulcerans bifunctional protein acetyl-/propionyl-coenzyme a carboxylase (alpha chain) AccA3 0.0456 0.3555 1
Loa Loa (eye worm) mbt repeat family protein 0.0058 0.0091 0.0094
Trypanosoma brucei unspecified product 0.03 0.2196 0.1798
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0227 0.1565 0.1488
Brugia malayi mbt repeat family protein 0.0058 0.0091 0.0094
Loa Loa (eye worm) phosphofructokinase 0.0131 0.0732 0.076
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0228 0.0138
Toxoplasma gondii acyl-CoA carboxyltransferase beta chain, putative 0.0162 0.1 0.079
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 4 AccD4 0.0162 0.1 0.2322
Trichomonas vaginalis phosphofructokinase, putative 0.0131 0.0732 1
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.0456 0.3555 0.3496
Trypanosoma brucei acetyl-CoA carboxylase 0.1196 1 1
Mycobacterium tuberculosis Probable acetyl-/propionyl-coenzyme A carboxylase alpha chain (alpha subunit) AccA2: biotin carboxylase + biotin carboxyl carrie 0.0456 0.3555 1
Echinococcus multilocularis propionyl coenzyme A carboxylase alpha chain 0.0456 0.3555 0.3496
Trypanosoma cruzi acetyl-CoA carboxylase 0.074 0.6035 1
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0131 0.0732 0.0444
Mycobacterium tuberculosis Acetyl/propionyl-CoA carboxylase (beta subunit) AccD6 0.0162 0.1 0.2322
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0228 0.0138
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0031 0.0426
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 4 AccD4_2 0.0162 0.1 0.2322
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain AccA1 0.0456 0.3555 1
Wolbachia endosymbiont of Brugia malayi Acetyl-CoA carboxylase, carboxyltransferase component 0.0162 0.1 0.1676
Schistosoma mansoni chromobox protein 0.0084 0.0322 0.0233
Plasmodium vivax biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.0866 0.7123 1
Mycobacterium ulcerans acetyl-/propionyl-CoA carboxylase subunit beta 0.0162 0.1 0.2322
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0066 0.016 0.007
Echinococcus granulosus 6 phosphofructokinase 0.0131 0.0732 0.0647
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.0456 0.3555 0.3496
Schistosoma mansoni myelin transcription factor 1 myt1 0.0066 0.016 0.007
Schistosoma mansoni carbamoyl-phosphate synthetase 0.0103 0.0486 0.0399
Schistosoma mansoni hypothetical protein 0.035 0.2637 0.257
Loa Loa (eye worm) hypothetical protein 0.0066 0.016 0.0166
Wolbachia endosymbiont of Brugia malayi Acetyl/propionyl-CoA carboxylase, alpha subunit 0.0456 0.3555 1
Echinococcus granulosus propionyl coenzyme A carboxylase beta chain 0.0162 0.1 0.0918
Echinococcus granulosus chromobox protein 1 0.0084 0.0322 0.0233
Echinococcus granulosus propionyl coenzyme A carboxylase alpha chain 0.0456 0.3555 0.3496
Schistosoma mansoni carbamoyl-phosphate synthetase 0.0103 0.0486 0.0399
Echinococcus granulosus chromobox protein 1 0.0084 0.0322 0.0233
Mycobacterium leprae Probable bifunctional protein acetyl-/propionyl-coenzyme A carboxylase, alpha chain AccA3 (BccP) 0.0456 0.3555 1
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0162 0.1 0.0927
Brugia malayi Carboxyl transferase domain containing protein 0.1154 0.9635 1
Schistosoma mansoni 6-phosphofructokinase 0.0131 0.0732 0.0647
Trypanosoma brucei 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0162 0.1 0.0541
Brugia malayi Heterochromatin protein 1 0.0084 0.0322 0.0334
Brugia malayi phosphofructokinase 0.0131 0.0732 0.076

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.1122 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)] ChEMBL. No reference
Potency (functional) 1.9953 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 2.9362 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 3.9811 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 4.7755 uM PUBCHEM_BIOASSAY: qHTS Assay to Find Inhibitors of T. brucei phosphofructokinase. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488768, AID492961] ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 13.1154 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) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum 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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