Detailed information for compound 1050334

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 387.86 | Formula: C20H22ClN3O3
  • H donors: 1 H acceptors: 2 LogP: 4.7 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(CN1CCCCC1)CO/N=C(/c1oc2c(n1)c1ccccc1cc2)\Cl
  • InChi: 1S/C20H22ClN3O3/c21-19(23-26-13-15(25)12-24-10-4-1-5-11-24)20-22-18-16-7-3-2-6-14(16)8-9-17(18)27-20/h2-3,6-9,15,25H,1,4-5,10-13H2/b23-19-
  • InChiKey: QMWAWZNQELUIGE-NMWGTECJSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens heat shock transcription factor 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129203 All targets in OG5_129203
Onchocerca volvulus Heat shock factor protein 2 homolog Get druggable targets OG5_129203 All targets in OG5_129203
Brugia malayi HSF-type DNA-binding domain containing protein Get druggable targets OG5_129203 All targets in OG5_129203
Entamoeba histolytica heat shock transcription factor, putative Get druggable targets OG5_129203 All targets in OG5_129203
Entamoeba histolytica heat shock transcription factor, putative Get druggable targets OG5_129203 All targets in OG5_129203
Candida albicans similar to S. cerevisiae Heat Shock Factor HSF1 (YGL073W) RNA Pol II transcriptional activator Get druggable targets OG5_129203 All targets in OG5_129203
Entamoeba histolytica heat shock transcription factor, putative Get druggable targets OG5_129203 All targets in OG5_129203
Candida albicans similar to S. cerevisiae Heat Shock Factor HSF1 (YGL073W) RNA Pol II transcriptional activator Get druggable targets OG5_129203 All targets in OG5_129203
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
Loa Loa (eye worm) hypothetical protein 0.0058 0.0077 0.0556
Echinococcus multilocularis neuropeptide s receptor 0.0467 0.0894 0.0894
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0091 0.0142 1
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0113 0.0186 0.0294
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0141 0.0242 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0058 0.0077 0.0077
Loa Loa (eye worm) hypothetical protein 0.012 0.02 0.1448
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0037 0.0034 0.0331
Trichomonas vaginalis glucosylceramidase, putative 0.0531 0.1022 1
Entamoeba histolytica heat shock transcription factor, putative 0.012 0.02 0.7939
Mycobacterium ulcerans acyl-CoA synthetase 0.0122 0.0203 0.0308
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0037 0.0034 0.0331
Trichomonas vaginalis glucosylceramidase, putative 0.0531 0.1022 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0009 0.0068
Onchocerca volvulus 0.0037 0.0034 0.0279
Onchocerca volvulus 0.0145 0.0249 0.2736
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0036 0.0031 0.0228
Entamoeba histolytica cysteine protease, putative 0.0037 0.0034 0.1348
Mycobacterium leprae POSSIBLE O-SUCCINYLBENZOIC ACID--CoA LIGASE MENE (OSB-CoA SYNTHETASE) (O-SUCCINYLBENZOATE-CoA SYNTHASE) 0.0036 0.0031 0.0032
Trichomonas vaginalis glucosylceramidase, putative 0.0348 0.0657 0.6426
Onchocerca volvulus Cathepsin L homolog 0.0037 0.0034 0.0279
Loa Loa (eye worm) hypothetical protein 0.0025 0.0009 0.0068
Entamoeba histolytica cysteine proteinase, putative 0.0037 0.0034 0.1348
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0036 0.0031 0.0921
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0086 0.0132 0.0197
Toxoplasma gondii ABC1 family protein 0.0113 0.0186 1
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0036 0.0031 0.0018
Entamoeba histolytica long-chain-fatty-acid--CoA ligase, putative 0.0036 0.0031 0.1248
Echinococcus granulosus cathepsin l cysteine peptidase 0.0037 0.0034 0.0034
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0051 0.0062 0.0072
Mycobacterium ulcerans AcrR family transcriptional regulator 0.2826 0.5616 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0037 0.0034 0.0331
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0027 0.0013 0.0196
Schistosoma mansoni acetyl-CoA synthetase 0.0036 0.0031 0.0031
Mycobacterium ulcerans TetR family transcriptional regulator 0.2826 0.5616 1
Echinococcus granulosus peptidase Clp S14 family 0.0051 0.0062 0.0062
Onchocerca volvulus 0.0113 0.0186 0.2014
Trypanosoma brucei acetyl-CoA synthetase, putative 0.0036 0.0031 0.0921
Loa Loa (eye worm) hypothetical protein 0.0113 0.0186 0.1349
Toxoplasma gondii propionate-CoA ligase 0.0036 0.0031 0.1214
Echinococcus multilocularis tumor protein p63 0.1376 0.2714 0.2714
Trypanosoma cruzi cysteine peptidase, putative 0.0037 0.0034 0.103
Brugia malayi beta-lactamase family protein 0.0113 0.0186 0.1349
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0145 0.0249 0.1808
Mycobacterium leprae POSSIBLE FATTY-ACID-CoA LIGASE FADD10 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0036 0.0031 0.0032
Echinococcus multilocularis Niemann Pick C1 protein 0.0115 0.0191 0.0191
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0036 0.0031 0.0921
Trichomonas vaginalis glucosylceramidase, putative 0.0367 0.0694 0.6794
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0146 0.0251 0.0251
Mycobacterium ulcerans lipase LipD 0.0113 0.0186 0.0277
Brugia malayi Cathepsin L-like precursor 0.0037 0.0034 0.0246
Entamoeba histolytica hypothetical protein 0.0146 0.0251 1
Brugia malayi AMP-binding enzyme family protein 0.0036 0.0031 0.0228
Toxoplasma gondii cathepsin CPL 0.0037 0.0034 0.1357
Schistosoma mansoni cellular tumor antigen P53 0.0201 0.0363 0.0363
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0037 0.0034 0.0331
Trypanosoma brucei hypothetical protein, conserved 0.0113 0.0186 0.7589
Brugia malayi Pre-SET motif family protein 0.0406 0.0773 0.5611
Toxoplasma gondii hypothetical protein 0.0027 0.0013 0.0196
Trypanosoma cruzi hypothetical protein, conserved 0.0113 0.0186 0.7589
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0058 0.0077 0.0077
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0113 0.0186 0.1349
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0122 0.0203 0.0325
Mycobacterium tuberculosis Probable lipase LipE 0.0113 0.0186 0.0294
Leishmania major cathepsin L-like protease 0.0037 0.0034 0.103
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0051 0.0062 0.0072
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0036 0.0031 0.0018
Loa Loa (eye worm) hypothetical protein 0.0036 0.0031 0.0228
Leishmania major cathepsin L-like protease 0.0141 0.0242 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0067 0.0067
Loa Loa (eye worm) hypothetical protein 0.0061 0.0081 0.0591
Echinococcus multilocularis cysteine protease 0.0037 0.0034 0.0034
Trichomonas vaginalis glucosylceramidase, putative 0.0531 0.1022 1
Mycobacterium tuberculosis Probable lipase LipD 0.0113 0.0186 0.0294
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0058 0.0077 0.3785
Echinococcus granulosus cathepsin l1 0.0037 0.0034 0.0034
Trypanosoma cruzi cysteine peptidase, putative 0.0141 0.0242 1
Loa Loa (eye worm) beta-lactamase 0.0113 0.0186 0.1349
Mycobacterium leprae Probable lipase LipE 0.0113 0.0186 0.0308
Leishmania major cathepsin L-like protease 0.0141 0.0242 1
Echinococcus granulosus neuropeptide receptor A26 0.0467 0.0894 0.0894
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0037 0.0034 0.0331
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0037 0.0034 0.0331
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0141 0.0242 1
Echinococcus multilocularis neuropeptide receptor A26 0.0467 0.0894 0.0894
Brugia malayi Papain family cysteine protease containing protein 0.0037 0.0034 0.0246
Loa Loa (eye worm) ctsf protein 0.0037 0.0034 0.0246
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0037 0.0034 0.0331
Echinococcus granulosus sterol regulatory element binding protein 0.005 0.0059 0.0059
Brugia malayi acetyl-Coenzyme A synthetase 2 0.0036 0.0031 0.0228
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.005 0.0059 0.0429
Brugia malayi beta-lactamase family protein 0.0113 0.0186 0.1349
Brugia malayi Probable ClpP-like protease 0.0078 0.0115 0.0837
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0086 0.0132 0.0197
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0037 0.0034 0.0331
Loa Loa (eye worm) hypothetical protein 0.0091 0.0142 0.1029
Loa Loa (eye worm) hypothetical protein 0.0122 0.0203 0.1475
Loa Loa (eye worm) fibroinase 0.0037 0.0034 0.0246
Brugia malayi AMP-binding enzyme family protein 0.0036 0.0031 0.0228
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0058 0.0077 0.0077
Mycobacterium ulcerans hypothetical protein 0.0113 0.0186 0.0277
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0036 0.0031 0.0921
Schistosoma mansoni hypothetical protein 0.0048 0.0056 0.0056
Echinococcus multilocularis cysteine protease 0.0037 0.0034 0.0034
Mycobacterium ulcerans acyl-CoA synthetase 0.0122 0.0203 0.0308
Schistosoma mansoni peptidase Clp (S14 family) 0.0078 0.0115 0.0115
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0037 0.0034 0.0246
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0115 0.0191 0.7601
Brugia malayi Cathepsin L-like precursor 0.0037 0.0034 0.0246
Onchocerca volvulus Cathepsin L homolog 0.0037 0.0034 0.0279
Mycobacterium tuberculosis Probable hydrolase 0.0113 0.0186 0.0294
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0141 0.0242 1
Brugia malayi AMP-binding enzyme family protein 0.0122 0.0203 0.1475
Trichomonas vaginalis glucosylceramidase, putative 0.0348 0.0657 0.6426
Loa Loa (eye worm) hypothetical protein 0.0115 0.0191 0.1387
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0051 0.0062 0.0086
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0037 0.0034 0.0331
Mycobacterium ulcerans esterase/lipase LipP 0.0113 0.0186 0.0277
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0531 0.1022 0.7416
Brugia malayi AMP-binding enzyme family protein 0.0122 0.0203 0.1475
Leishmania major cathepsin L-like protease 0.0037 0.0034 0.103
Brugia malayi Cathepsin L-like precursor 0.0037 0.0034 0.0246
Trichomonas vaginalis penicillin-binding protein, putative 0.0113 0.0186 0.1819
Brugia malayi hypothetical protein 0.0708 0.1378 1
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0036 0.0031 0.0018
Trichomonas vaginalis glucosylceramidase, putative 0.0367 0.0694 0.6794
Entamoeba histolytica hypothetical protein 0.0146 0.0251 1
Trypanosoma cruzi cysteine peptidase, putative 0.0141 0.0242 1
Plasmodium vivax acetyl-CoA synthetase, putative 0.0036 0.0031 0.1214
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0141 0.0242 1
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0036 0.0031 0.0018
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0037 0.0034 0.0034
Trichomonas vaginalis penicillin-binding protein, putative 0.0113 0.0186 0.1819
Entamoeba histolytica hypothetical protein 0.0146 0.0251 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0037 0.0034 0.0331
Trypanosoma cruzi hypothetical protein, conserved 0.0113 0.0186 0.7589
Entamoeba histolytica acyl-CoA synthetase, putative 0.0122 0.0203 0.8087
Plasmodium vivax vivapain-2 0.0037 0.0034 0.1357
Loa Loa (eye worm) hypothetical protein 0.0091 0.0142 0.1029
Trichomonas vaginalis glucosylceramidase, putative 0.0348 0.0657 0.6426
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0122 0.0203 0.0308
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0037 0.0034 0.0331
Leishmania major 4-coumarate:coa ligase-like protein 0.0122 0.0203 0.8341
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0037 0.0034 0.0331
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0037 0.0034 0.0331
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.0061 0.044
Trichomonas vaginalis esterase, putative 0.0113 0.0186 0.1819
Brugia malayi hypothetical protein 0.0025 0.001 0.0073
Leishmania major long-chain-fatty-acid-CoA ligase, putative 0.0036 0.0031 0.0921
Trichomonas vaginalis antibiotic synthetase, putative 0.0036 0.0031 0.0307
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0078 0.0115 1
Brugia malayi AMP-binding enzyme family protein 0.0122 0.0203 0.1475
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0141 0.0242 1
Trichomonas vaginalis D-aminoacylase, putative 0.0113 0.0186 0.1819
Schistosoma mansoni transcription factor LCR-F1 0.0146 0.0251 0.0251
Brugia malayi Cathepsin L-like precursor 0.0025 0.0009 0.0068
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0037 0.0034 0.0331
Trichomonas vaginalis antibiotic synthetase, putative 0.0036 0.0031 0.0307
Trypanosoma cruzi major cysteine proteinase, putative 0.0111 0.0181 0.7397
Brugia malayi AMP-binding enzyme family protein 0.0036 0.0031 0.0228
Trichomonas vaginalis set domain proteins, putative 0.0462 0.0886 0.8666
Echinococcus multilocularis expressed conserved protein 0.0108 0.0177 0.0177
Echinococcus granulosus expressed conserved protein 0.0108 0.0177 0.0177
Brugia malayi beta-lactamase 0.0113 0.0186 0.1349
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0037 0.0034 0.0246
Echinococcus granulosus cathepsin l1 0.0025 0.0009 0.0009
Onchocerca volvulus 0.0113 0.0186 0.2014
Echinococcus multilocularis beta LACTamase domain containing family member 0.0113 0.0186 0.0186
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0036 0.0031 0.0018
Mycobacterium ulcerans hypothetical protein 0.0122 0.0203 0.0308
Loa Loa (eye worm) hypothetical protein 0.0078 0.0115 0.0837
Entamoeba histolytica cysteine proteinase, putative 0.0037 0.0034 0.1348
Mycobacterium tuberculosis Transcriptional regulatory repressor protein (TetR-family) EthR 0.2826 0.5616 1
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0036 0.0031 0.0018
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0129 0.0217 0.8945
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0091 0.0142 0.0215
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0036 0.0031 0.0018
Echinococcus granulosus beta LACTamase domain containing family member 0.0113 0.0186 0.0186
Brugia malayi Cathepsin L-like precursor 0.0037 0.0034 0.0246
Plasmodium vivax vivapain-2 0.0037 0.0034 0.1357
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0078 0.0115 0.0115
Loa Loa (eye worm) hypothetical protein 0.005 0.0061 0.044
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0113 0.0186 0.0186
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0113 0.0186 0.0277
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0029 0.0209
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0406 0.0773 0.5611
Trichomonas vaginalis D-aminoacylase, putative 0.0113 0.0186 0.1819
Loa Loa (eye worm) hypothetical protein 0.0708 0.1378 1
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0037 0.0034 0.1811
Schistosoma mansoni hypothetical protein 0.0048 0.0056 0.0056
Plasmodium falciparum acetyl-CoA synthetase, putative 0.0036 0.0031 0.1621
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0058 0.0077 0.0077
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0037 0.0034 0.0331
Brugia malayi HSF-type DNA-binding domain containing protein 0.012 0.02 0.1448
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0078 0.0115 0.5991
Leishmania major cysteine peptidase A (CPA) 0.0037 0.0034 0.103
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0037 0.0034 0.0331
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0078 0.0115 0.015
Trichomonas vaginalis conserved hypothetical protein 0.005 0.0059 0.0578
Toxoplasma gondii Acetyl-coenzyme A synthetase 2, putative 0.0036 0.0031 0.1214
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0067 0.0067
Mycobacterium tuberculosis Conserved protein 0.0113 0.0186 0.0294
Onchocerca volvulus 0.0462 0.0886 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0037 0.0034 0.0331
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0113 0.0186 0.0294
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0037 0.0034 0.0331
Echinococcus multilocularis cathepsin L cysteine protease 0.0037 0.0034 0.0034
Leishmania major cathepsin L-like protease 0.0037 0.0034 0.103
Trichomonas vaginalis glucosylceramidase, putative 0.0348 0.0657 0.6426
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.1757 0.3476 0.3476
Loa Loa (eye worm) hypothetical protein 0.0122 0.0203 0.1475
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0053 0.0067 0.0485
Leishmania major acetyl-CoA synthetase, putative 0.0036 0.0031 0.0921
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0053 0.0067 0.0485
Leishmania major acetyl-CoA synthetase, putative 0.0036 0.0031 0.0921
Echinococcus multilocularis Niemann Pick C1 protein 0.0165 0.029 0.029
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0141 0.0242 1
Mycobacterium tuberculosis Probable esterase LipL 0.0113 0.0186 0.0294
Trichomonas vaginalis D-aminoacylase, putative 0.0113 0.0186 0.1819
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0078 0.0115 0.5991
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0078 0.0115 0.0182
Echinococcus granulosus Niemann Pick C1 protein 0.0165 0.029 0.029
Echinococcus multilocularis microtubule associated protein 2 0.5016 1 1
Mycobacterium leprae conserved hypothetical protein 0.0113 0.0186 0.0308
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.0067 0.0067
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0037 0.0034 0.0331
Plasmodium vivax SET domain protein, putative 0.0058 0.0077 0.3785
Loa Loa (eye worm) hypothetical protein 0.0113 0.0186 0.1349
Echinococcus granulosus Protein patched homolog 1 0.005 0.0059 0.0059
Brugia malayi cathepsin L-like precursor 0.0025 0.0009 0.0068
Echinococcus multilocularis sterol regulatory element binding protein 0.005 0.0059 0.0059
Onchocerca volvulus 0.0037 0.0034 0.0279
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0025 0.0009 0.0092
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0113 0.0186 0.0294
Leishmania major 4-coumarate:coa ligase-like protein 0.0122 0.0203 0.8341
Onchocerca volvulus 0.0037 0.0034 0.0279
Loa Loa (eye worm) hypothetical protein 0.0113 0.0186 0.1349
Echinococcus granulosus neuropeptide s receptor 0.0467 0.0894 0.0894
Onchocerca volvulus 0.0037 0.0034 0.0279
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0117 0.0195 0.0195
Echinococcus granulosus cathepsin L cysteine proteinase 0.0037 0.0034 0.0034
Loa Loa (eye worm) hypothetical protein 0.0091 0.0142 0.1029
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0141 0.0242 1
Brugia malayi Cathepsin L-like cysteine proteinase 0.0025 0.0009 0.0068
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0122 0.0203 0.0325
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0122 0.0203 0.0339
Echinococcus granulosus tumor protein p63 0.1376 0.2714 0.2714
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0531 0.1022 0.7416
Plasmodium falciparum acyl-CoA synthetase 0.0091 0.0142 1
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0122 0.0203 0.0308
Onchocerca volvulus 0.0058 0.0077 0.0766
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0036 0.0031 0.0018
Trichomonas vaginalis glucosylceramidase, putative 0.0348 0.0657 0.6426
Onchocerca volvulus Heat shock factor protein 2 homolog 0.012 0.02 0.217
Trichomonas vaginalis glucosylceramidase, putative 0.0531 0.1022 1
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0027 0.0013 0.0262
Loa Loa (eye worm) hypothetical protein 0.0034 0.0029 0.0209
Entamoeba histolytica cysteine proteinase, putative 0.0025 0.0009 0.0375
Loa Loa (eye worm) hypothetical protein 0.0113 0.0186 0.1349
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0037 0.0034 0.0331
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0067 0.0067
Onchocerca volvulus Glucosylceramidase homolog 0.0348 0.0657 0.7388
Brugia malayi CHE-14 protein 0.005 0.0059 0.0429
Onchocerca volvulus 0.0036 0.0031 0.025
Onchocerca volvulus 0.0037 0.0034 0.0279
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0078 0.0115 0.5
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0113 0.0186 0.0186
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0086 0.0132 0.0197
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0078 0.0115 0.5991
Schistosoma mansoni patched 1 0.005 0.0059 0.0059
Brugia malayi Niemann-Pick C1 protein precursor 0.0115 0.0191 0.1387
Plasmodium vivax acyl-CoA synthetase, putative 0.0091 0.0142 0.7492
Mycobacterium leprae Probable fatty-acid-CoA synthetase FadD22 (fatty-acid-CoA ligase) (fatty-acid-CoA synthase) 0.0036 0.0031 0.0032
Loa Loa (eye worm) hypothetical protein 0.0091 0.0142 0.1029
Mycobacterium ulcerans beta-lactamase 0.0113 0.0186 0.0277
Schistosoma mansoni hypothetical protein 0.0048 0.0056 0.0056
Trichomonas vaginalis glucosylceramidase, putative 0.0531 0.1022 1
Loa Loa (eye worm) oxidoreductase 0.0036 0.0031 0.0228
Trypanosoma cruzi cysteine peptidase, putative 0.0141 0.0242 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0091 0.0142 0.0198
Echinococcus multilocularis protein dispatched 1 0.0057 0.0073 0.0073
Onchocerca volvulus 0.0037 0.0034 0.0279
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0078 0.0115 0.0115
Brugia malayi Cathepsin L-like precursor 0.0037 0.0034 0.0246
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0036 0.0031 0.0018
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.0061 0.044
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0056 0.0072 0.0072
Plasmodium vivax hypothetical protein, conserved 0.0113 0.0186 1
Loa Loa (eye worm) cysteine protease 0.0037 0.0034 0.0246
Leishmania major 4-coumarate:coa ligase-like protein 0.0122 0.0203 0.8341
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0141 0.0242 1
Schistosoma mansoni hypothetical protein 0.0048 0.0056 0.0056
Trichomonas vaginalis glucosylceramidase, putative 0.0348 0.0657 0.6426
Mycobacterium tuberculosis Conserved protein 0.0113 0.0186 0.0294
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0141 0.0242 1
Onchocerca volvulus 0.0037 0.0034 0.0279
Echinococcus multilocularis survival motor neuron protein 1 0.0708 0.1378 0.1378
Loa Loa (eye worm) hypothetical protein 0.0113 0.0186 0.1349
Schistosoma mansoni cathepsin F (C01 family) 0.0037 0.0034 0.0034
Loa Loa (eye worm) hypothetical protein 0.0201 0.0363 0.2634
Entamoeba histolytica acyl-coA synthetase, putative 0.0122 0.0203 0.8087
Echinococcus granulosus Niemann Pick C1 protein 0.0115 0.0191 0.0191
Trichomonas vaginalis glucosylceramidase, putative 0.0531 0.1022 1
Entamoeba histolytica heat shock transcription factor, putative 0.012 0.02 0.7939
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0036 0.0031 0.0228
Brugia malayi Cathepsin L-like precursor 0.0037 0.0034 0.0246
Schistosoma mansoni hypothetical protein 0.0146 0.0251 0.0251
Entamoeba histolytica hypothetical protein 0.0146 0.0251 1
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0078 0.0115 0.7996
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0037 0.0034 0.0331
Onchocerca volvulus 0.0036 0.0031 0.025
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0113 0.0186 0.1349
Schistosoma mansoni hypothetical protein 0.0145 0.0249 0.0249
Onchocerca volvulus 0.0036 0.0031 0.025
Echinococcus multilocularis acetyl coenzyme A synthetase, cytoplasmic 0.0036 0.0031 0.0031
Mycobacterium tuberculosis Conserved protein 0.0113 0.0186 0.0294
Loa Loa (eye worm) hypothetical protein 0.0113 0.0186 0.1349
Entamoeba histolytica acyl-CoA synthetase, putative 0.0122 0.0203 0.8087
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0141 0.0242 1
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0078 0.0115 0.015
Brugia malayi Pre-SET motif family protein 0.0058 0.0077 0.0556
Brugia malayi AMP-binding enzyme family protein 0.0036 0.0031 0.0228
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0146 0.0251 0.0251
Schistosoma mansoni microtubule-associated protein tau 0.5016 1 1
Schistosoma mansoni cathepsin F (C01 family) 0.0037 0.0034 0.0034
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0037 0.0034 0.1811
Echinococcus multilocularis cathepsin L cysteine protease 0.0037 0.0034 0.0034
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0141 0.0242 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0037 0.0034 0.0331
Loa Loa (eye worm) hypothetical protein 0.0036 0.0031 0.0228
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.0067 0.0067
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0086 0.0132 0.0197
Onchocerca volvulus Cathepsin F homolog 0.0037 0.0034 0.0279
Loa Loa (eye worm) hypothetical protein 0.0091 0.0142 0.1029
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.0061 0.044
Echinococcus granulosus survival motor neuron protein 1 0.0708 0.1378 0.1378
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0036 0.0031 0.1214
Mycobacterium ulcerans transcriptional regulator 0.2826 0.5616 1
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0036 0.0031 0.0921
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0122 0.0203 0.0308
Loa Loa (eye worm) hypothetical protein 0.005 0.0059 0.0429
Leishmania major cathepsin L-like protease 0.0141 0.0242 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.0067 0.0067
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0721 0.1403 0.247
Echinococcus granulosus expressed protein 0.039 0.0741 0.0741
Onchocerca volvulus 0.0201 0.0363 0.4035
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0036 0.0031 0.0018
Onchocerca volvulus 0.0036 0.0031 0.025
Leishmania major hypothetical protein, conserved 0.0113 0.0186 0.7589
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0122 0.0203 0.0339
Entamoeba histolytica heat shock transcription factor, putative 0.012 0.02 0.7939
Mycobacterium ulcerans acyl-CoA synthetase 0.0122 0.0203 0.0308
Onchocerca volvulus 0.0113 0.0186 0.2014
Trypanosoma cruzi cruzipain precursor, putative 0.0141 0.0242 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0036 0.0031 0.0018
Schistosoma mansoni cathepsin F (C01 family) 0.0025 0.0009 0.0009
Loa Loa (eye worm) hypothetical protein 0.0025 0.001 0.0073
Schistosoma mansoni hypothetical protein 0.0034 0.0029 0.0029
Loa Loa (eye worm) hypothetical protein 0.0122 0.0203 0.1475
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0058 0.0077 0.0077
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.0067 0.0067
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0036 0.0031 0.0228
Loa Loa (eye worm) hypothetical protein 0.0037 0.0034 0.0246
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0058 0.0077 0.0077
Echinococcus multilocularis peptidase Clp (S14 family) 0.0051 0.0062 0.0062
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0037 0.0034 0.0331
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0122 0.0203 0.0308
Onchocerca volvulus 0.0122 0.0203 0.2213
Echinococcus granulosus acetyl coenzyme A synthetase cytoplasmic 0.0036 0.0031 0.0031
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0037 0.0034 0.0034
Mycobacterium leprae Probable transcriptional regulatory repressor protein (TetR-family) EthR 0.2826 0.5616 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0058 0.0077 0.0077
Echinococcus multilocularis expressed protein 0.039 0.0741 0.0741
Trypanosoma brucei long-chain-fatty-acid-CoA ligase, putative 0.0036 0.0031 0.0921
Schistosoma mansoni survival motor neuron protein 0.0145 0.0249 0.0249
Leishmania major cathepsin L-like protease 0.0037 0.0034 0.103
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0037 0.0034 0.0331
Loa Loa (eye worm) hypothetical protein 0.0025 0.0009 0.0068
Leishmania major cathepsin L-like protease 0.0037 0.0034 0.103
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0025 0.0009 0.0092
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0037 0.0034 0.0331
Trichomonas vaginalis glucosylceramidase, putative 0.0348 0.0657 0.6426
Brugia malayi hypothetical protein 0.0146 0.0251 0.1824
Echinococcus multilocularis protein patched 0.005 0.0059 0.0059
Plasmodium falciparum cysteine proteinase falcipain 3 0.0037 0.0034 0.1811
Brugia malayi Cathepsin L-like precursor 0.0025 0.0009 0.0068

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) Transcriptional activation of HSF1 in human HeLa cells assessed as granule formation treated 3 hrs before heat shock challenge by immunocytochemical staining ChEMBL. 19398333
CC50 (ADMET) = 17.4 uM Cytotoxicity against human SK-N-SH cells by MTS assay ChEMBL. 19398333
CC50 (ADMET) = 18.9 uM Cytotoxicity against human HeLa cells by MTS assay ChEMBL. 19398333
EC50 (functional) = 5.2 uM Cytoprotective activity against 26S proteasome inhibitor MG132-induced stress in human SK-N-SH cells assessed as cell viability treated 1 hr before MG132 challenge measured after 24 hrs ChEMBL. 19398333
EC50 (binding) = 12.1 uM Transcriptional activation of HSF1 in heat shock stress-induced human HeLa cells assessed as granule formation treated 1 hr before heat shock challenge measured after 2 hrs by immunocytochemical staining ChEMBL. 19398333

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 19398333

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

1 literature reference was collected for this gene.

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