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

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
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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