Detailed information for compound 657469

Basic information

Technical information
  • TDR Targets ID: 657469
  • Name: 6-(2-methylpropoxy)-2,3,4,9-tetrahydrocarbazo l-1-one
  • MW: 257.328 | Formula: C16H19NO2
  • H donors: 1 H acceptors: 1 LogP: 3.78 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(COc1ccc2c(c1)c1CCCC(=O)c1[nH]2)C
  • InChi: 1S/C16H19NO2/c1-10(2)9-19-11-6-7-14-13(8-11)12-4-3-5-15(18)16(12)17-14/h6-8,10,17H,3-5,9H2,1-2H3
  • InChiKey: HECYQAMBHBDMRR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 6-isobutoxy-2,3,4,9-tetrahydrocarbazol-1-one
  • BIM-0019466.P001
  • Oprea1_408918
  • ZINC00053359
  • MLS000532508
  • SMR000137447
  • AH-262/08619042
  • A2187/0091970
  • CBMicro_019342
  • Oprea1_483363
  • 6-isobutoxy-2,3,4,9-tetrahydro-1H-carbazol-1-one

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
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
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 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
Schistosoma mansoni lamin 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
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus 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
Brugia malayi Intermediate filament tail domain containing protein 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 mansoni lamin 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
Schistosoma japonicum Lamin-C, putative 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
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin 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
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin 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
Schistosoma japonicum Intermediate filament protein ifa-1, 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
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
Plasmodium vivax glutathione reductase, putative 0.0177 0.0279 1
Onchocerca volvulus 0.0199 0.0317 0.7425
Schistosoma mansoni smad 0.0018 0.0003 0.0003
Loa Loa (eye worm) hypothetical protein 0.0067 0.0088 0.1092
Mycobacterium leprae Probable transcriptional regulatory repressor protein (TetR-family) EthR 0.2087 0.3593 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0018 0.0431
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.005 0.0058 0.2085
Trichomonas vaginalis PIKK family atypical protein kinase 0.005 0.0058 0.1361
Schistosoma mansoni hypothetical protein 0.0067 0.0088 0.0088
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0061 0.0078 0.2803
Toxoplasma gondii NADPH-glutathione reductase 0.0061 0.0078 0.2803
Plasmodium falciparum thioredoxin reductase 0.0177 0.0279 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0001 0.0017
Trichomonas vaginalis penicillin-binding protein, putative 0.0073 0.0099 0.231
Loa Loa (eye worm) TAR-binding protein 0.0064 0.0082 0.1018
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0404 0.0673 0.1876
Leishmania major phosphatidylinositol 3-kinase, putative 0.0017 0.0001 0.0026
Mycobacterium leprae PROBABLE BACTERIOFERRITIN BFRA 0.0018 0.0003 0.0007
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0016 0.0564
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0001 0.0017
Schistosoma mansoni hypothetical protein 0.0098 0.0142 0.0142
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0021 0.0008 0.0274
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0082 0.0082
Echinococcus granulosus GPCR family 2 0.0031 0.0026 0.0026
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0031 0.0026 0.0026
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 0.0056 0.0069 0.0191
Trichomonas vaginalis PIKK family atypical protein kinase 0.005 0.0058 0.1361
Trichomonas vaginalis D-aminoacylase, putative 0.0073 0.0099 0.231
Trichomonas vaginalis esterase, putative 0.0073 0.0099 0.231
Schistosoma mansoni survival motor neuron protein 0.0098 0.0142 0.0142
Echinococcus multilocularis Smad4 0.0018 0.0003 0.0003
Entamoeba histolytica hypothetical protein 0.0113 0.0168 1
Loa Loa (eye worm) hypothetical protein 0.0073 0.0099 0.1221
Trichomonas vaginalis PIKK family atypical protein kinase 0.005 0.0058 0.1361
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0162 0.0253 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0036 0.0843
Echinococcus granulosus thioredoxin glutathione reductase 0.0178 0.0281 0.0281
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0024 0.0013 0.0452
Mycobacterium tuberculosis Conserved protein 0.0073 0.0099 0.0275
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0029 0.0029
Echinococcus granulosus intermediate filament protein 0.0033 0.0028 0.0028
Mycobacterium tuberculosis Conserved protein 0.0073 0.0099 0.0275
Entamoeba histolytica hypothetical protein 0.0113 0.0168 1
Mycobacterium tuberculosis Probable reductase 0.0404 0.0673 0.1876
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0061 0.0078 0.2803
Echinococcus multilocularis mothers against decapentaplegic 5 0.0018 0.0003 0.0003
Brugia malayi Pre-SET motif family protein 0.0033 0.0029 0.0361
Trypanosoma cruzi trypanothione reductase, putative 0.0061 0.0078 0.2803
Echinococcus granulosus smad 0.0018 0.0003 0.0003
Brugia malayi MH2 domain containing protein 0.0018 0.0003 0.004
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0033 0.0029 0.1045
Schistosoma mansoni cellular tumor antigen P53 0.0199 0.0317 0.0317
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0018 0.0431
Schistosoma mansoni transcription factor LCR-F1 0.0113 0.0168 0.0168
Leishmania major hypothetical protein, conserved 0.0073 0.0099 0.3538
Trichomonas vaginalis D-aminoacylase, putative 0.0073 0.0099 0.231
Trypanosoma brucei target of rapamycin kinase 3, putative 0.004 0.0041 0.1454
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0404 0.0673 0.1872
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0061 0.0078 0.0078
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0061 0.0078 0.2803
Loa Loa (eye worm) transcription factor SMAD2 0.0266 0.0434 0.5367
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0061 0.0078 0.3092
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0127 0.0192 0.0192
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0036 0.0843
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.005 0.0058 0.3458
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0468 0.0783 0.2183
Schistosoma mansoni hypothetical protein 0.0127 0.0192 0.0192
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.005 0.0058 0.2085
Brugia malayi TAR-binding protein 0.0064 0.0082 0.1018
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0028 0.0652
Schistosoma mansoni hypothetical protein 0.0031 0.0026 0.0026
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0061 0.0078 0.2803
Schistosoma mansoni lamin 0.0033 0.0028 0.0028
Toxoplasma gondii thioredoxin reductase 0.0177 0.0279 1
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0002 0.0025
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0033 0.0029 0.0029
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0016 0.0564
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0061 0.0078 0.3092
Schistosoma mansoni intermediate filament proteins 0.0033 0.0028 0.0028
Mycobacterium ulcerans bacterioferritin BfrB 0.0018 0.0003 0.0007
Echinococcus multilocularis smad 0.0018 0.0003 0.0003
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0061 0.0078 0.2803
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0031 0.0026 0.0026
Mycobacterium tuberculosis Probable lipase LipE 0.0073 0.0099 0.0275
Schistosoma mansoni ferritin light chain 0.0018 0.0003 0.0003
Mycobacterium leprae Probable lipase LipE 0.0073 0.0099 0.0275
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0017 0.0001 0.0026
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.005 0.0058 0.0058
Schistosoma mansoni hypothetical protein 0.0031 0.0026 0.0026
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.005 0.0058 0.3458
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0073 0.0099 0.1221
Schistosoma mansoni ferritin 0.0018 0.0003 0.0003
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0033 0.0029 0.0029
Loa Loa (eye worm) MH2 domain-containing protein 0.0018 0.0003 0.004
Schistosoma mansoni hypothetical protein 0.0031 0.0026 0.0026
Trichomonas vaginalis penicillin-binding protein, putative 0.0073 0.0099 0.231
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0045 0.005 0.0618
Schistosoma mansoni peptidase Clp (S14 family) 0.0162 0.0253 0.0253
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.005 0.0058 0.2085
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0031 0.0026 0.0026
Echinococcus multilocularis peptidase Clp (S14 family) 0.0106 0.0156 0.0156
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0023 0.0535
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0036 0.0843
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0032 0.0027 0.0027
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0061 0.0078 0.2803
Toxoplasma gondii hypothetical protein 0.0056 0.0069 0.246
Entamoeba histolytica hypothetical protein 0.0113 0.0168 1
Loa Loa (eye worm) phosphatidylinositol 3 0.005 0.0058 0.0719
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0449 0.0751 0.209
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0449 0.0751 0.2094
Mycobacterium tuberculosis Probable hydrolase 0.0073 0.0099 0.0275
Onchocerca volvulus 0.0073 0.0099 0.231
Echinococcus granulosus TGF beta signal transducer SmadC 0.0018 0.0003 0.0003
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0073 0.0099 0.0275
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0073 0.0099 0.0275
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.005 0.0058 0.0719
Loa Loa (eye worm) MH1 domain-containing protein 0.0018 0.0003 0.004
Echinococcus multilocularis lamin dm0 0.0033 0.0028 0.0028
Echinococcus multilocularis thioredoxin glutathione reductase 0.0178 0.0281 0.0281
Leishmania major trypanothione reductase 0.0177 0.0279 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0073 0.0099 0.0099
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0073 0.0099 0.1221
Loa Loa (eye worm) hypothetical protein 0.0025 0.0016 0.0195
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0162 0.0253 0.9067
Brugia malayi beta-lactamase family protein 0.0073 0.0099 0.1221
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0018 0.0431
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0106 0.0156 0.0435
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0231 0.0372 0.4601
Echinococcus multilocularis expressed protein 0.0018 0.0003 0.0003
Brugia malayi MH2 domain containing protein 0.0018 0.0003 0.004
Loa Loa (eye worm) hypothetical protein 0.0031 0.0026 0.0318
Mycobacterium ulcerans lipase LipD 0.0073 0.0099 0.0275
Loa Loa (eye worm) beta-lactamase 0.0073 0.0099 0.1221
Trypanosoma cruzi target of rapamycin kinase 3 0.004 0.0041 0.1454
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0098 0.0142 0.176
Onchocerca volvulus 0.0263 0.0427 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0061 0.0078 0.2803
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.005 0.0058 0.2085
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0028 0.0349
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.0046 0.1066
Schistosoma mansoni thyroid hormone receptor 0.0137 0.0209 0.0209
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0404 0.0673 0.1876
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0073 0.0099 0.0275
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.004 0.0041 0.1454
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0113 0.0168 0.0168
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0162 0.0253 0.9067
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0162 0.0253 0.0704
Schistosoma mansoni apoferritin-2 0.0018 0.0003 0.0003
Mycobacterium ulcerans transcriptional regulator 0.2087 0.3593 1
Brugia malayi beta-lactamase 0.0073 0.0099 0.1221
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0001 0.0017
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.004 0.0947
Mycobacterium ulcerans AcrR family transcriptional regulator 0.2087 0.3593 1
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0017 0.0001 0.0026
Mycobacterium tuberculosis Probable dehydrogenase 0.0404 0.0673 0.1876
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0064 0.0082 0.1018
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.005 0.0058 0.2085
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0001 0.0017
Brugia malayi RNA binding protein 0.0064 0.0082 0.1018
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0018 0.0003 0.0003
Onchocerca volvulus 0.0033 0.0028 0.0661
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0061 0.0078 0.2803
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.005 0.0058 0.2085
Brugia malayi Probable ClpP-like protease 0.0162 0.0253 0.3128
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0162 0.0253 0.0253
Brugia malayi Thioredoxin reductase 0.0177 0.0279 0.345
Trichomonas vaginalis ferritin, putative 0.0018 0.0003 0.0063
Schistosoma mansoni Smad4 0.0018 0.0003 0.0003
Echinococcus granulosus peptidase Clp S14 family 0.0106 0.0156 0.0156
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0162 0.0253 0.0253
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0162 0.0253 0.0704
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0028 0.0349
Brugia malayi latrophilin 2 splice variant baaae 0.0067 0.0088 0.1092
Loa Loa (eye worm) phosphatidylinositol 3 0.0017 0.0001 0.0009
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0061 0.0078 0.2803
Echinococcus granulosus survival motor neuron protein 1 0.0482 0.0809 0.0809
Echinococcus multilocularis survival motor neuron protein 1 0.0482 0.0809 0.0809
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0056 0.0069 0.2713
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0023 0.0547
Onchocerca volvulus 0.0098 0.0142 0.3333
Schistosoma mansoni ferritin light chain 0.0018 0.0003 0.0003
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0056 0.0069 0.246
Schistosoma mansoni smad1 5 8 and 0.0018 0.0003 0.0003
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0177 0.0279 0.0778
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0017 0.0001 0.0026
Brugia malayi hypothetical protein 0.0016 0 0.0002
Trichomonas vaginalis D-aminoacylase, putative 0.0073 0.0099 0.231
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0449 0.0751 0.2094
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0018 0.0003 0.0003
Plasmodium falciparum glutathione reductase 0.0061 0.0078 0.2803
Schistosoma mansoni ferritin 0.0018 0.0003 0.0003
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0404 0.0673 0.1876
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0082 0.0082
Toxoplasma gondii target of rapamycin (TOR), putative 0.0037 0.0036 0.1291
Echinococcus granulosus tar DNA binding protein 0.0064 0.0082 0.0082
Plasmodium vivax thioredoxin reductase, putative 0.0177 0.0279 1
Brugia malayi hypothetical protein 0.0113 0.0168 0.2081
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0061 0.0078 0.2803
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0061 0.0078 0.0218
Trichomonas vaginalis set domain proteins, putative 0.0263 0.0427 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0137 0.0209 0.0209
Leishmania major hypothetical protein, conserved 0.0025 0.0016 0.0564
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0045 0.005 0.0618
Mycobacterium ulcerans bacterioferritin BfrA 0.0018 0.0003 0.0007
Mycobacterium tuberculosis Probable bacterioferritin BfrA 0.0018 0.0003 0.0007
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0017 0.0001 0.0009
Brugia malayi beta-lactamase family protein 0.0073 0.0099 0.1221
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0061 0.0078 0.2803
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0017 0.0001 0.0026
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0113 0.0168 0.0168
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0061 0.0078 0.2803
Mycobacterium ulcerans TetR family transcriptional regulator 0.2087 0.3593 1
Loa Loa (eye worm) hypothetical protein 0.0073 0.0099 0.1221
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0061 0.0078 0.2803
Giardia lamblia GTOR 0.005 0.0058 0.7438
Schistosoma mansoni smad1 5 8 and 0.0018 0.0003 0.0003
Trypanosoma brucei hypothetical protein, conserved 0.0073 0.0099 0.3538
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0162 0.0253 0.9067
Mycobacterium ulcerans hypothetical protein 0.0073 0.0099 0.0275
Loa Loa (eye worm) hypothetical protein 0.0162 0.0253 0.3128
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0016 0.0564
Echinococcus granulosus expressed protein 0.0018 0.0003 0.0003
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0023 0.0547
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0029 0.0029
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0036 0.0843
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0061 0.0078 0.0078
Brugia malayi Latrophilin receptor protein 2 0.0031 0.0026 0.0318
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0023 0.0535
Brugia malayi MH1 domain containing protein 0.0018 0.0003 0.004
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0061 0.0078 0.2803
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0061 0.0078 0.2803
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0073 0.0099 0.0099
Mycobacterium tuberculosis Conserved protein 0.0073 0.0099 0.0275
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0061 0.0078 0.0218
Loa Loa (eye worm) hypothetical protein 0.0073 0.0099 0.1221
Loa Loa (eye worm) MH2 domain-containing protein 0.0266 0.0434 0.5367
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0073 0.0099 0.0275
Mycobacterium leprae conserved hypothetical protein 0.0073 0.0099 0.0275
Mycobacterium ulcerans esterase/lipase LipP 0.0073 0.0099 0.0275
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0031 0.0026 0.0318
Echinococcus granulosus beta LACTamase domain containing family member 0.0073 0.0099 0.0099
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0036 0.0843
Brugia malayi RNA recognition motif domain containing protein 0.0064 0.0082 0.1018
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0002 0.0025
Schistosoma mansoni lamin 0.0033 0.0028 0.0028
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0404 0.0673 0.1876
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0061 0.0078 0.3092
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0162 0.0253 0.9067
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0056 0.0069 0.246
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.004 0.0947
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0061 0.0078 0.2803
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0061 0.0078 0.2803
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0023 0.0547
Echinococcus multilocularis tar DNA binding protein 0.0064 0.0082 0.0082
Schistosoma mansoni hypothetical protein 0.0113 0.0168 0.0168
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0061 0.0078 0.2803
Plasmodium vivax SET domain protein, putative 0.0033 0.0029 0.1045
Mycobacterium tuberculosis Probable lipase LipD 0.0073 0.0099 0.0275
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0061 0.0078 0.0078
Loa Loa (eye worm) hypothetical protein 0.0098 0.0142 0.176
Giardia lamblia NADH oxidase lateral transfer candidate 0.0061 0.0078 1
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0106 0.0156 0.0434
Echinococcus multilocularis tumor protein p63 0.1361 0.2333 0.2333
Trichomonas vaginalis mercuric reductase, putative 0.0061 0.0078 0.183
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0098 0.0142 0.1761
Brugia malayi hypothetical protein 0.0482 0.0809 1
Entamoeba histolytica hypothetical protein 0.0113 0.0168 1
Echinococcus multilocularis microtubule associated protein 2 0.5781 1 1
Onchocerca volvulus 0.0073 0.0099 0.231
Echinococcus granulosus lamin 0.0033 0.0028 0.0028
Mycobacterium tuberculosis Transcriptional regulatory repressor protein (TetR-family) EthR 0.2083 0.3586 1
Onchocerca volvulus 0.0073 0.0099 0.231
Loa Loa (eye worm) latrophilin receptor protein 2 0.0031 0.0026 0.0318
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0098 0.0142 0.176
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.005 0.0058 0.0058
Onchocerca volvulus 0.0033 0.0028 0.0661
Treponema pallidum bacterioferrin (TpF1) 0.0018 0.0003 0.0106
Schistosoma mansoni ferritin 0.0018 0.0003 0.0003
Treponema pallidum NADH oxidase 0.0061 0.0078 0.3092
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0016 0.0564
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0162 0.0253 0.0704
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0018 0.0431
Brugia malayi MH1 domain containing protein 0.0018 0.0003 0.004
Brugia malayi hypothetical protein 0.0025 0.0016 0.0195
Onchocerca volvulus 0.0033 0.0029 0.0682
Echinococcus granulosus ferritin 0.0018 0.0003 0.0003
Mycobacterium tuberculosis Probable oxidoreductase 0.0449 0.0751 0.2094
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0018 0.0429
Echinococcus multilocularis ferritin 0.0018 0.0003 0.0003
Trypanosoma cruzi hypothetical protein, conserved 0.0073 0.0099 0.3538
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0061 0.0078 0.0218
Echinococcus granulosus lamin dm0 0.0033 0.0028 0.0028
Trypanosoma brucei trypanothione reductase 0.0177 0.0279 1
Plasmodium vivax hypothetical protein, conserved 0.0073 0.0099 0.3538
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0016 0.0564
Loa Loa (eye worm) hypothetical protein 0.0033 0.0028 0.0349
Wolbachia endosymbiont of Brugia malayi bacterioferritin/cytochrome b1 0.0018 0.0003 0.0106
Loa Loa (eye worm) hypothetical protein 0.0033 0.0029 0.0361
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0082 0.0082
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0028 0.0349
Echinococcus multilocularis musashi 0.0033 0.0028 0.0028
Schistosoma mansoni smad1 5 8 and 0.0018 0.0003 0.0003
Loa Loa (eye worm) hypothetical protein 0.0032 0.0027 0.0336
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0033 0.0029 0.0029
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0061 0.0078 0.0218
Trichomonas vaginalis glutathione reductase, putative 0.0061 0.0078 0.183
Brugia malayi MH2 domain containing protein 0.0266 0.0434 0.5367
Schistosoma mansoni ferritin 0.0018 0.0003 0.0003
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0082 0.0082
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0016 0.0564
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.003 0.0695
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0036 0.0843
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0162 0.0253 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.004 0.0947
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0061 0.0078 0.2803
Trypanosoma cruzi hypothetical protein, conserved 0.0073 0.0099 0.3538
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0106 0.0156 0.0435
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0018 0.0429
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0018 0.0429
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0017 0.0001 0.0001
Toxoplasma gondii ABC1 family protein 0.0073 0.0099 0.3538
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0082 0.0082
Loa Loa (eye worm) glutathione reductase 0.0177 0.0279 0.345
Brugia malayi Smad1 0.0018 0.0003 0.004
Echinococcus granulosus mothers against decapentaplegic 5 0.0018 0.0003 0.0003
Echinococcus multilocularis GPCR, family 2 0.0031 0.0026 0.0026
Loa Loa (eye worm) hypothetical protein 0.0073 0.0099 0.1221
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0017 0.0001 0.0026
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.005 0.0058 0.0058
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0061 0.0078 0.0967
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0001 0.0017
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0162 0.0253 1
Mycobacterium tuberculosis Probable esterase LipL 0.0073 0.0099 0.0275
Loa Loa (eye worm) Smad1 0.0018 0.0003 0.004
Brugia malayi glutathione reductase 0.0177 0.0279 0.345
Trypanosoma cruzi trypanothione reductase, putative 0.0177 0.0279 1
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0017 0.0001 0.0001
Schistosoma mansoni hypothetical protein 0.0031 0.0026 0.0026
Mycobacterium ulcerans beta-lactamase 0.0073 0.0099 0.0275
Loa Loa (eye worm) hypothetical protein 0.0073 0.0099 0.1221
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.004 0.0947
Loa Loa (eye worm) hypothetical protein 0.0073 0.0099 0.1221
Mycobacterium tuberculosis Bacterioferritin BfrB 0.0018 0.0003 0.0007
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0029 0.0029
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0127 0.0192 0.0192
Plasmodium falciparum thioredoxin reductase 0.0061 0.0078 0.2803
Brugia malayi intermediate filament protein 0.0033 0.0028 0.0349
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0017 0.0001 0.0001
Brugia malayi Calcitonin receptor-like protein seb-1 0.0098 0.0142 0.176
Loa Loa (eye worm) hypothetical protein 0.0482 0.0809 1
Plasmodium falciparum glutathione reductase 0.0177 0.0279 1
Echinococcus multilocularis lamin 0.0033 0.0028 0.0028
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0061 0.0078 0.2803
Loa Loa (eye worm) RNA binding protein 0.0064 0.0082 0.1018
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0016 0.0564
Loa Loa (eye worm) thioredoxin reductase 0.0177 0.0279 0.345
Brugia malayi Pre-SET motif family protein 0.0231 0.0372 0.4601
Echinococcus granulosus tumor protein p63 0.1361 0.2333 0.2333
Loa Loa (eye worm) hypothetical protein 0.0199 0.0317 0.3924
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0061 0.0078 0.2803
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0031 0.0026 0.0026
Echinococcus granulosus Smad4 0.0018 0.0003 0.0003
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0036 0.0843
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0162 0.0253 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.004 0.0947
Echinococcus granulosus histone lysine methyltransferase setb 0.0033 0.0029 0.0029
Schistosoma mansoni thyroid hormone receptor 0.0137 0.0209 0.0209
Schistosoma mansoni apoferritin-2 0.0018 0.0003 0.0003
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0073 0.0099 0.0099
Schistosoma mansoni microtubule-associated protein tau 0.5781 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 3.1623 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.0795 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) 18.526 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) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 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) 39.8107 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 44.6684 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
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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