Detailed information for compound 2001977

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 382.324 | Formula: C20H25Cl2NO2
  • H donors: 1 H acceptors: 2 LogP: 5.48 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N1CC[C@@]2([C@H]([C@H]1Cc1c2c(Cl)c(c(c1)Cl)O)C)C)C1CCCC1
  • InChi: 1S/C20H25Cl2NO2/c1-11-15-10-13-9-14(21)18(24)17(22)16(13)20(11,2)7-8-23(15)19(25)12-5-3-4-6-12/h9,11-12,15,24H,3-8,10H2,1-2H3/t11-,15+,20+/m0/s1
  • InChiKey: QMXDLYKESGXGGN-BGFJZZDESA-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 hydroxysteroid (11-beta) dehydrogenase 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium ulcerans short chain dehydrogenase Get druggable targets OG5_132866 All targets in OG5_132866
Mycobacterium tuberculosis Probable oxidoreductase Get druggable targets OG5_132866 All targets in OG5_132866
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum steroid dehydrogenase, putative hydroxysteroid (11-beta) dehydrogenase 1 292 aa 250 aa 24.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni endoplasmin 0.005 0.0093 0.0401
Giardia lamblia DNA topoisomerase II 0.0692 0.217 1
Leishmania major heat shock protein 83-1 0.005 0.0093 0.0034
Brugia malayi Bromodomain containing protein 0.0038 0.0056 0.0174
Brugia malayi intermediate filament protein 0.0078 0.0184 0.0724
Toxoplasma gondii histone lysine demethylase JMJD6a 0.0048 0.0088 0.0039
Loa Loa (eye worm) hypothetical protein 0.0048 0.0088 0.0297
Entamoeba histolytica transcription factor BTF3, putative 0.0184 0.0527 0.218
Brugia malayi Endoplasmin precursor 0.005 0.0093 0.0334
Echinococcus granulosus histone acetyltransferase KAT2B 0.0112 0.0294 0.1263
Leishmania major hypothetical protein, conserved 0.005 0.0093 0.0034
Brugia malayi jmjC domain containing protein 0.0048 0.0088 0.0309
Echinococcus granulosus intermediate filament protein 0.0078 0.0184 0.0788
Mycobacterium ulcerans isocitrate lyase Icl 0.0943 0.2984 0.2918
Schistosoma mansoni hypothetical protein 0.0232 0.0684 0.2932
Loa Loa (eye worm) TAR-binding protein 0.0074 0.017 0.0652
Mycobacterium tuberculosis Probable DNA polymerase III (alpha chain) DnaE2 (DNA nucleotidyltransferase) 0.1098 0.3485 0.3423
Leishmania major heat shock protein 83-1 0.005 0.0093 0.0034
Treponema pallidum DNA gyrase, subunit A (gyrA) 0.3111 1 1
Plasmodium vivax DNA topoisomerase 3, putative 0.0114 0.03 0.0253
Echinococcus granulosus histone acetyltransferase MYST2 0.0044 0.0073 0.0312
Trypanosoma brucei heat shock protein, putative 0.005 0.0093 0.0034
Leishmania major heat shock protein 83-1 0.005 0.0093 0.0034
Leishmania major basic transcription factor 3a, putative 0.0184 0.0527 0.1157
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0134 0.0365 0.0274
Brugia malayi jmjC domain containing protein 0.0048 0.0088 0.0309
Leishmania major heat shock protein 83-1 0.005 0.0093 0.0034
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.005 0.0093 0.04
Loa Loa (eye worm) transcription factor SMAD2 0.0095 0.0239 0.0952
Echinococcus granulosus histone acetyltransferase KAT2B 0.0036 0.0049 0.0209
Trypanosoma brucei Heat shock protein 83, putative 0.005 0.0093 0.0034
Leishmania major heat shock protein 83-1 0.005 0.0093 0.0034
Schistosoma mansoni sex comb on midleg homolog 0.0038 0.0056 0.0239
Echinococcus granulosus phd:f box containing protein 0.0048 0.0088 0.0376
Chlamydia trachomatis DNA gyrase subunit B 0.1514 0.483 0.4781
Loa Loa (eye worm) hypothetical protein 0.0048 0.0088 0.0297
Schistosoma mansoni transcription factor btf3 0.0184 0.0527 0.226
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0134 0.0365 0.0589
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0151 0.0419 0.1798
Onchocerca volvulus Putative DNA topoisomerase 2, mitochondrial 0.0722 0.2268 1
Schistosoma mansoni lamin 0.0078 0.0184 0.0788
Brugia malayi DNA topoisomerase II, alpha isozyme 0.0742 0.2332 1
Schistosoma mansoni hypothetical protein 0.0197 0.0568 0.2437
Echinococcus granulosus neuropeptide receptor A26 0.0368 0.1122 0.481
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.005 0.0093 0.0401
Leishmania major heat shock protein 83-1 0.005 0.0093 0.0034
Loa Loa (eye worm) jmjC domain-containing protein 0.0182 0.0521 0.2172
Plasmodium vivax thioredoxin reductase, putative 0.0053 0.0103 0.0054
Echinococcus granulosus lamin dm0 0.0078 0.0184 0.0788
Brugia malayi heat shock protein 90 0.005 0.0093 0.0334
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0115 0.0304 0.1233
Trichomonas vaginalis receptor histidine kinase, putative 0.005 0.0093 0.0196
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0044 0.0073 0.0312
Chlamydia trachomatis DNA gyrase subunit B 0.1016 0.322 0.3156
Mycobacterium tuberculosis Probable isocitrate lyase AceAb [second part] (isocitrase) (isocitratase) (Icl) 0.0943 0.2984 0.2918
Trypanosoma brucei heat shock protein, putative 0.005 0.0093 0.0034
Plasmodium falciparum basic transcription factor 3b, putative 0.0184 0.0527 0.0496
Trypanosoma brucei transcription factor BTF3, putative 0.0184 0.0527 0.1157
Giardia lamblia Heat shock protein HSP 90-alpha 0.005 0.0093 0.0285
Loa Loa (eye worm) hypothetical protein 0.0078 0.0185 0.0718
Onchocerca volvulus 0.0067 0.0148 0.0415
Leishmania major heat shock protein 83-1 0.005 0.0093 0.0034
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0058 0.0121 0.0518
Schistosoma mansoni hypothetical protein 0.0028 0.0024 0.0102
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0149 0.0413 0.1596
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0115 0.0304 0.1304
Echinococcus granulosus DNA topoisomerase 2 alpha 0.0742 0.2332 1
Entamoeba histolytica DNA topoisomerase III, putative 0.0114 0.03 0.1197
Brugia malayi jmjC domain containing protein 0.018 0.0516 0.2157
Loa Loa (eye worm) MH2 domain-containing protein 0.0095 0.0239 0.0952
Leishmania major heat shock protein 83-1 0.005 0.0093 0.0034
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.1239 0.3942 1
Trypanosoma cruzi Heat shock protein 83, putative 0.005 0.0093 0.0034
Echinococcus granulosus lamin 0.0078 0.0184 0.0788
Echinococcus multilocularis heat shock protein 90 0.005 0.0093 0.0401
Brugia malayi kinase, mitochondrial precursor 0.005 0.0093 0.0334
Loa Loa (eye worm) DNA topoisomerase III beta-1 0.0114 0.03 0.1215
Echinococcus multilocularis lamin 0.0078 0.0184 0.0788
Onchocerca volvulus Heat shock factor protein 2 homolog 0.0078 0.0185 0.0585
Plasmodium vivax hypothetical protein, conserved 0.005 0.0093 0.0045
Schistosoma mansoni prokaryotic DNA topoisomerase 0.0114 0.03 0.1287
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0028 0.0024 0.0102
Plasmodium falciparum JmjC domain-containing protein, putative 0.0048 0.0088 0.0055
Loa Loa (eye worm) jmjC domain-containing protein 0.0048 0.0088 0.0297
Brugia malayi acetyltransferase, GNAT family protein 0.0117 0.0312 0.1278
Mycobacterium tuberculosis Probable oxidoreductase 0.0134 0.0365 0.0274
Echinococcus multilocularis neuropeptide s receptor 0.0368 0.1122 0.481
Loa Loa (eye worm) phosphotyrosine protein phosphatase 0.0149 0.0413 0.1704
Brugia malayi RNA recognition motif domain containing protein 0.0074 0.017 0.0664
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.012 0.0322 0.0231
Loa Loa (eye worm) hypothetical protein 0.0067 0.0148 0.0556
Brugia malayi Thioredoxin reductase 0.0053 0.0103 0.0375
Plasmodium falciparum DNA gyrase subunit A 0.3111 1 1
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0149 0.0413 0.1596
Trypanosoma cruzi heat shock protein 90, putative 0.005 0.0093 0.0034
Loa Loa (eye worm) ICD-1 protein 0.0184 0.0527 0.2196
Echinococcus multilocularis lysine specific demethylase 5A 0.018 0.0516 0.2211
Wolbachia endosymbiont of Brugia malayi topoisomerase IA, TopA 0.0114 0.03 0.0209
Brugia malayi Calcitonin receptor-like protein seb-1 0.0039 0.0059 0.0187
Trypanosoma cruzi DNA topoisomerase IA, putative 0.0114 0.03 0.0569
Schistosoma mansoni heat shock protein 0.005 0.0093 0.0401
Echinococcus multilocularis thioredoxin glutathione reductase 0.0053 0.0103 0.0441
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.005 0.0093 0.0401
Echinococcus multilocularis SAM and MBT domain containing protein 0.0038 0.0056 0.0239
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.1239 0.3942 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0115 0.0304 0.1304
Entamoeba histolytica heat shock transcription factor, putative 0.0078 0.0185 0.0699
Brugia malayi DNA gyrase/topoisomerase IV, A subunit family protein 0.0742 0.2332 1
Echinococcus multilocularis geminin 0.0197 0.0568 0.2437
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.018 0.0516 0.2211
Chlamydia trachomatis DNA polymerase III subunit alpha 0.1092 0.3467 0.3405
Wolbachia endosymbiont of Brugia malayi DNA polymerase III alpha subunit 0.1092 0.3467 0.3405
Trypanosoma cruzi heat shock protein 85, putative 0.005 0.0093 0.0034
Trypanosoma cruzi transcription factor btf3, putative 0.0184 0.0527 0.1157
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0046 0.008 0.0138
Leishmania major heat shock protein 83-1 0.005 0.0093 0.0034
Plasmodium falciparum heat shock protein 90 0.005 0.0093 0.0061
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0038 0.0056 0.0239
Brugia malayi beta-NAC-like protein 0.0184 0.0527 0.2206
Mycobacterium leprae PROBABLE DNA POLYMERASE III (ALPHA CHAIN) DNAE1 (DNA NUCLEOTIDYLTRANSFERASE) 0.1098 0.3485 0.7344
Trypanosoma cruzi trypanothione reductase, putative 0.0053 0.0103 0.0058
Loa Loa (eye worm) hypothetical protein 0.0044 0.0073 0.0232
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.005 0.0093 0.0045
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0039 0.0059 0.0187
Echinococcus granulosus L aminoadipate semialdehyde 0.0067 0.0148 0.0633
Schistosoma mansoni heat shock protein 0.005 0.0093 0.0401
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0067 0.0148 0.0568
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0044 0.0073 0.0245
Trypanosoma brucei Histidine kinase-, DNA gyrase B-, and HSP90-like ATPase, putative 0.005 0.0093 0.0034
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0115 0.0304 0.1304
Leishmania major heat shock protein 83-1 0.005 0.0093 0.0034
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.012 0.0322 0.0495
Schistosoma mansoni tar DNA-binding protein 0.0074 0.017 0.0728
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0042 0.0067 0.0207
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0038 0.0053 0.0229
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0151 0.0419 0.1798
Leishmania major DNA topoisomerase III, putative 0.0114 0.03 0.0569
Leishmania major hypothetical protein, conserved 0.0048 0.0088 0.0019
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0149 0.0413 0.1687
Mycobacterium tuberculosis DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase) 0.1514 0.483 0.4781
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0058 0.0121 0.0518
Plasmodium falciparum DNA topoisomerase 3, putative 0.0114 0.03 0.0268
Echinococcus multilocularis neuropeptide receptor A26 0.0368 0.1122 0.481
Brugia malayi jmjC domain containing protein 0.0048 0.0088 0.0309
Echinococcus granulosus polycomb protein SCMH1 0.0038 0.0056 0.0239
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0149 0.0413 0.1596
Wolbachia endosymbiont of Brugia malayi DNA gyrase, topoisomerase II, B subunit, GyrB 0.1514 0.483 0.4781
Mycobacterium leprae Probable DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (Type II DNA topoisomerase) 0.0513 0.1592 0.3245
Mycobacterium tuberculosis Probable oxidoreductase 0.0346 0.1052 0.0968
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0039 0.0059 0.0174
Schistosoma mansoni jumonji domain containing protein 0.018 0.0516 0.2211
Mycobacterium tuberculosis Probable dehydrogenase 0.012 0.0322 0.0231
Schistosoma mansoni hypothetical protein 0.0027 0.0019 0.0081
Brugia malayi mbt repeat family protein 0.0038 0.0056 0.0171
Brugia malayi glutathione reductase 0.0053 0.0103 0.0375
Plasmodium vivax DNA gyrase subunit B, putative 0.1514 0.483 0.4805
Loa Loa (eye worm) DEAH box polypeptide 35 0.0129 0.035 0.143
Plasmodium falciparum endoplasmin, putative 0.005 0.0093 0.0061
Trichomonas vaginalis prokaryotic DNA topoisomerase, putative 0.0114 0.03 0.1101
Echinococcus multilocularis DNA topoisomerase 3 beta 1 0.0114 0.03 0.1287
Trichomonas vaginalis conserved hypothetical protein 0.0184 0.0527 0.2095
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase 0.0149 0.0413 0.1781
Loa Loa (eye worm) hypothetical protein 0.0036 0.0049 0.0129
Trypanosoma brucei RNA helicase, putative 0.0232 0.0682 0.1557
Echinococcus multilocularis heat shock protein 0.005 0.0093 0.0401
Trypanosoma brucei heat shock protein, putative 0.005 0.0093 0.0034
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0722 0.2268 1
Trypanosoma cruzi developmentally regulated phosphoprotein, putative 0.005 0.0093 0.0034
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0134 0.0365 0.0274
Loa Loa (eye worm) hypothetical protein 0.0273 0.0817 0.3449
Treponema pallidum DNA polymerase III subunit alpha 0.1092 0.3467 0.3405
Trichomonas vaginalis heat shock protein, putative 0.005 0.0093 0.0196
Schistosoma mansoni tar DNA-binding protein 0.0074 0.017 0.0728
Mycobacterium tuberculosis Putative ferredoxin reductase 0.012 0.0322 0.0231
Schistosoma mansoni DNA topoisomerase II 0.0742 0.2332 1
Toxoplasma gondii heat shock protein 90, putative 0.005 0.0093 0.0045
Loa Loa (eye worm) jmjC domain-containing protein 0.0048 0.0088 0.0297
Plasmodium falciparum DNA gyrase subunit B 0.1514 0.483 0.4813
Loa Loa (eye worm) hypothetical protein 0.0042 0.0069 0.0218
Loa Loa (eye worm) hypothetical protein 0.0078 0.0184 0.0713
Echinococcus multilocularis histone acetyltransferase MYST2 0.0044 0.0073 0.0312
Schistosoma mansoni lamin 0.0078 0.0184 0.0788
Brugia malayi latrophilin 2 splice variant baaae 0.0027 0.0019 0.0013
Entamoeba histolytica acetyltransferase, GNAT family 0.0031 0.0032 0.0038
Chlamydia trachomatis DNA gyrase subunit A 0.0335 0.1015 0.093
Toxoplasma gondii thioredoxin reductase 0.0053 0.0103 0.0054
Plasmodium falciparum thioredoxin reductase 0.0053 0.0103 0.0071
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.0048 0.0088 0.0019
Brugia malayi Bromodomain containing protein 0.0073 0.0167 0.0651
Echinococcus granulosus DNA topoisomerase 3 beta 1 0.0114 0.03 0.1287
Schistosoma mansoni jumonji/arid domain-containing protein 0.0182 0.0521 0.2236
Trichomonas vaginalis mismatch repair protein Mlh1C (mutL homolog) 0.005 0.0093 0.0196
Loa Loa (eye worm) DNA topoisomerase III 0.0114 0.03 0.1215
Loa Loa (eye worm) jmjC domain-containing protein 0.0048 0.0088 0.0297
Echinococcus granulosus thioredoxin glutathione reductase 0.0053 0.0103 0.0441
Mycobacterium ulcerans DNA topoisomerase I 0.0114 0.03 0.0209
Echinococcus granulosus geminin 0.0197 0.0568 0.2437
Onchocerca volvulus 0.0114 0.03 0.1105
Trypanosoma brucei DNA topoisomerase II alpha, putative 0.0628 0.1964 0.4877
Mycobacterium ulcerans isocitrate lyase AceAb 0.0943 0.2984 0.2918
Toxoplasma gondii DNA topoisomerase domain-containing protein 0.0114 0.03 0.0253
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0046 0.008 0.0138
Schistosoma mansoni tar DNA-binding protein 0.0074 0.017 0.0728
Brugia malayi Low molecular weight phosphotyrosine protein phosphatase containing protein 0.0149 0.0413 0.1715
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.012 0.0322 0.0231
Trypanosoma cruzi DNA topoisomerase III, putative 0.0114 0.03 0.0569
Plasmodium vivax heat shock protein 86, putative 0.005 0.0093 0.0045
Mycobacterium tuberculosis Conserved hypothetical protein 0.0207 0.0601 0.0512
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0149 0.0413 0.1596
Trypanosoma brucei heat shock protein, putative 0.005 0.0093 0.0034
Mycobacterium ulcerans short chain dehydrogenase 0.0346 0.1052 0.0968
Mycobacterium tuberculosis DNA gyrase (subunit A) GyrA (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase) 0.3111 1 1
Giardia lamblia Pms1-like protein 0.005 0.0093 0.0285
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0115 0.0304 0.1244
Loa Loa (eye worm) hypothetical protein 0.0076 0.0179 0.0693
Schistosoma mansoni endoplasmin 0.005 0.0093 0.0401
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.005 0.0093 0.0045
Trypanosoma cruzi Histidine kinase-, DNA gyrase B-, and HSP90-like ATPase, putative 0.005 0.0093 0.0034
Loa Loa (eye worm) thioredoxin reductase 0.0053 0.0103 0.0363
Brugia malayi cytoplasmic intermediate filament protein 0.0042 0.0067 0.0219
Entamoeba histolytica heat shock transcription factor, putative 0.0078 0.0185 0.0699
Loa Loa (eye worm) hypothetical protein 0.0048 0.0088 0.0297
Loa Loa (eye worm) hypothetical protein 0.0273 0.0817 0.3449
Plasmodium vivax DNA topoisomerase II, putative 0.0742 0.2332 0.2294
Echinococcus granulosus SAM and MBT domain containing protein 0.0038 0.0056 0.0239
Entamoeba histolytica heat shock transcription factor, putative 0.0078 0.0185 0.0699
Trypanosoma cruzi DNA topoisomerase III, putative 0.0114 0.03 0.0569
Echinococcus granulosus DNA topoisomerase 3 alpha 0.0114 0.03 0.1287
Giardia lamblia DNA topoisomerase III 0.0114 0.03 0.1251
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0115 0.0304 0.1304
Trypanosoma brucei heat shock protein, putative 0.005 0.0093 0.0034
Mycobacterium ulcerans hypothetical protein 0.0207 0.0601 0.0512
Mycobacterium leprae PROBABLE ISOCITRATE LYASE AceA (ISOCITRASE) (ISOCITRATASE) (ICL) 0.0943 0.2984 0.6259
Loa Loa (eye worm) heat shock protein 90 0.005 0.0093 0.0322
Echinococcus granulosus lysine specific demethylase 5A 0.0182 0.0521 0.2236
Echinococcus multilocularis JmjC domain containing protein 4 0.0048 0.0088 0.0376
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.005 0.0093 0.04
Entamoeba histolytica heat shock protein 90, putative 0.005 0.0093 0.0302
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0885 0.2795 0.276
Loa Loa (eye worm) mbt repeat family protein 0.0038 0.0056 0.0158
Schistosoma mansoni hypothetical protein 0.0197 0.0568 0.2437
Brugia malayi DNA topoisomerase III 0.0114 0.03 0.1226
Loa Loa (eye worm) hypothetical protein 0.0038 0.0056 0.0158
Loa Loa (eye worm) hypothetical protein 0.037 0.1129 0.4798
Plasmodium falciparum glutathione reductase 0.0053 0.0103 0.0071
Echinococcus granulosus tar DNA binding protein 0.0074 0.017 0.0728
Leishmania major heat shock protein 83-1 0.005 0.0093 0.0034
Plasmodium vivax glutathione reductase, putative 0.0053 0.0103 0.0054
Schistosoma mansoni jumonji/arid domain-containing protein 0.0182 0.0521 0.2236
Schistosoma mansoni hypothetical protein 0.0232 0.0682 0.2923
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0048 0.0088 0.0376
Mycobacterium leprae Probable DNA gyrase (subunit A) GyrA (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (Type II DNA topoisomerase) 0.1477 0.4711 1
Echinococcus granulosus heat shock protein 90 0.005 0.0093 0.0401
Loa Loa (eye worm) hypothetical protein 0.0041 0.0064 0.0193
Schistosoma mansoni tar DNA-binding protein 0.0074 0.017 0.0728
Entamoeba histolytica DNA topoisomerase II, putative 0.0742 0.2332 1
Echinococcus multilocularis jumonji domain containing 1A 0.0048 0.0088 0.0376
Leishmania major DNA topoisomerase 1A 0.0114 0.03 0.0569
Schistosoma mansoni protein phosphatase 2C 0.0048 0.0088 0.0376
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0038 0.0053 0.0229
Loa Loa (eye worm) hypothetical protein 0.0036 0.0049 0.0129
Leishmania major heat shock protein 83-1 0.005 0.0093 0.0034
Loa Loa (eye worm) endoplasmin 0.005 0.0093 0.0322
Schistosoma mansoni tar DNA-binding protein 0.0074 0.017 0.0728
Echinococcus granulosus lysine specific demethylase 6a 0.0048 0.0088 0.0376
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0117 0.0312 0.1338
Schistosoma mansoni pyruvate dehydrogenase 0.005 0.0093 0.0401
Loa Loa (eye worm) MBCTL1 0.0044 0.0073 0.0232
Echinococcus multilocularis DNA topoisomerase 2 alpha 0.0742 0.2332 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0115 0.0304 0.1304
Brugia malayi DNA topoisomerase III beta-1 0.0114 0.03 0.1226
Wolbachia endosymbiont of Brugia malayi DNA gyrase subunit A 0.3111 1 1
Entamoeba histolytica heat shock protein 90, putative 0.005 0.0093 0.0302
Trichomonas vaginalis conserved hypothetical protein 0.0184 0.0527 0.2095
Leishmania major developmentally regulated phosphoprotein-like protein 0.005 0.0093 0.0034
Trichomonas vaginalis DNA topoisomerase II, putative 0.0742 0.2332 1
Loa Loa (eye worm) hypothetical protein 0.0066 0.0145 0.0544
Trypanosoma brucei DNA topoisomerase III, putative 0.0114 0.03 0.0569
Treponema pallidum DNA gyrase, subunit B (gyrB) 0.1514 0.483 0.4781
Toxoplasma gondii DNA gyrase/topoisomerase IV, A subunit domain-containing protein 0.3111 1 1
Treponema pallidum DNA topoisomerase I (topA) 0.0114 0.03 0.0209
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.064 0.2003 0.8588
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0115 0.0304 0.1304
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0033 0.004 0.0172
Schistosoma mansoni bromodomain containing protein 0.0062 0.0132 0.0564
Echinococcus multilocularis lysine specific demethylase 6a 0.0048 0.0088 0.0376
Mycobacterium tuberculosis Probable isocitrate lyase AceAa [first part] (isocitrase) (isocitratase) (Icl) 0.0943 0.2984 0.2918
Onchocerca volvulus 0.0078 0.0184 0.0579
Echinococcus granulosus jumonji domain containing 1A 0.0048 0.0088 0.0376
Chlamydia trachomatis DNA topoisomerase I 0.0114 0.03 0.0209
Brugia malayi MH2 domain containing protein 0.0095 0.0239 0.0963
Brugia malayi Intermediate filament tail domain containing protein 0.0078 0.0184 0.0724
Mycobacterium ulcerans DNA polymerase III subunit alpha 0.1092 0.3467 0.3405
Leishmania major mitochondrial DNA topoisomerase II 0.1239 0.3942 1
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0048 0.0088 0.0019
Loa Loa (eye worm) hypothetical protein 0.037 0.1129 0.4798
Entamoeba histolytica hypothetical protein 0.0184 0.0527 0.218
Echinococcus granulosus neuropeptide s receptor 0.0368 0.1122 0.481
Echinococcus granulosus transcription factor btf3 0.0184 0.0527 0.226
Schistosoma mansoni sex comb on midleg homolog 0.0038 0.0056 0.0239
Brugia malayi Probable ATP-dependent helicase DHX35 0.0129 0.035 0.1441
Plasmodium vivax basic transcription factor 3b, putative 0.0184 0.0527 0.0481
Trypanosoma brucei DNA topoisomerase IA, putative 0.0114 0.03 0.0569
Loa Loa (eye worm) hypothetical protein 0.0036 0.0047 0.0123
Trypanosoma cruzi heat shock protein 85, putative 0.005 0.0093 0.0034
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0149 0.0413 0.1687
Loa Loa (eye worm) acetyltransferase 0.0117 0.0312 0.1267
Trypanosoma cruzi DNA topoisomerase IA, putative 0.0114 0.03 0.0569
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0117 0.0312 0.1338
Mycobacterium leprae Isocitrate lyase 0.0442 0.1362 0.2748
Trichomonas vaginalis receptor histidine kinase, putative 0.005 0.0093 0.0196
Plasmodium falciparum DNA topoisomerase VI, b subunit, putative 0.005 0.0093 0.0061
Loa Loa (eye worm) RNA binding protein 0.0074 0.017 0.0652
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA 0.0149 0.0413 0.0323
Trypanosoma brucei heat shock protein, putative 0.005 0.0093 0.0034
Trypanosoma cruzi DNA topoisomerase III, putative 0.0114 0.03 0.0569
Plasmodium falciparum DNA topoisomerase 2 0.0742 0.2332 0.2307
Mycobacterium ulcerans DNA gyrase subunit A 0.3111 1 1
Brugia malayi jmjC domain containing protein 0.0182 0.0521 0.2182
Onchocerca volvulus 0.0078 0.0184 0.0579
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0722 0.2268 1
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) 0.0103 0.0265 0.0173
Trypanosoma cruzi heat shock protein 85, putative 0.005 0.0093 0.0034
Schistosoma mansoni prokaryotic DNA topoisomerase 0.0114 0.03 0.1287
Echinococcus multilocularis transcription factor btf3 0.0184 0.0527 0.226
Mycobacterium ulcerans error-prone DNA polymerase 0.1092 0.3467 0.3405
Plasmodium vivax DNA gyrase subunit A, putative 0.3111 1 1
Leishmania major DNA topoisomerase ii 0.0628 0.1964 0.4877
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0044 0.0073 0.0312
Trypanosoma brucei heat shock protein 90, putative 0.005 0.0093 0.0034
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0115 0.0304 0.1304
Trichomonas vaginalis sensory transduction histidine kinase, putative 0.005 0.0093 0.0196
Loa Loa (eye worm) hypothetical protein 0.0038 0.0053 0.0149
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0074 0.017 0.0652
Brugia malayi RNA binding protein 0.0074 0.017 0.0664
Trichomonas vaginalis sensory transduction histidine kinase bacterial, putative 0.005 0.0093 0.0196
Schistosoma mansoni phosphatidylserine receptor 0.0048 0.0088 0.0376
Toxoplasma gondii NAC domain-containing protein 0.0184 0.0527 0.0481
Echinococcus granulosus Pyruvate dehydrogenase lipoamide kinase 0.005 0.0093 0.0401
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0149 0.0413 0.1596
Leishmania major heat shock protein 83-1 0.005 0.0093 0.0034
Loa Loa (eye worm) TOPoisomerase family member 0.0742 0.2332 1
Loa Loa (eye worm) intermediate filament protein 0.0078 0.0184 0.0713
Schistosoma mansoni phd/f-box containing protein 0.0048 0.0088 0.0376
Brugia malayi TAR-binding protein 0.0074 0.017 0.0664
Trypanosoma cruzi DNA topoisomerase II, putative 0.0628 0.1964 0.4877
Echinococcus multilocularis rho GTPase activating protein 20 0.0114 0.03 0.1287
Brugia malayi Probable DNA topoisomerase II 0.0742 0.2332 1
Trichomonas vaginalis heat shock protein, putative 0.005 0.0093 0.0196
Leishmania major heat shock protein 83-1 0.005 0.0093 0.0034
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.0048 0.0088 0.0039
Schistosoma mansoni intermediate filament proteins 0.0078 0.0184 0.0788
Brugia malayi mbt repeat family protein 0.0038 0.0056 0.0171
Trichomonas vaginalis sensory transduction histidine kinase bacterial, putative 0.005 0.0093 0.0196
Onchocerca volvulus 0.0149 0.0413 0.1616
Mycobacterium tuberculosis Probable reductase 0.012 0.0322 0.0231
Trypanosoma brucei DNA topoisomerase II beta, putative 0.0628 0.1964 0.4877
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0053 0.0103 0.0009
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0149 0.0413 0.1596
Echinococcus multilocularis tar DNA binding protein 0.0074 0.017 0.0728
Trypanosoma cruzi DNA topoisomerase II, putative 0.0628 0.1964 0.4877
Schistosoma mansoni transcription factor LCR-F1 0.0028 0.0024 0.0102
Plasmodium vivax JmjC domain containing protein 0.0048 0.0088 0.0039
Echinococcus multilocularis musashi 0.0078 0.0184 0.0788
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0078 0.0184 0.0713
Trichomonas vaginalis endoplasmin, putative 0.005 0.0093 0.0196
Mycobacterium tuberculosis Isocitrate lyase Icl (isocitrase) (isocitratase) 0.0943 0.2984 0.2918
Giardia lamblia DNA topoisomerase III 0.0114 0.03 0.1251
Leishmania major heat shock protein 83-1 0.005 0.0093 0.0034
Trypanosoma brucei heat shock protein, putative 0.005 0.0093 0.0034
Echinococcus granulosus heat shock protein 0.005 0.0093 0.0401
Mycobacterium ulcerans DNA gyrase subunit B 0.1514 0.483 0.4781
Loa Loa (eye worm) hypothetical protein 0.005 0.0093 0.0322
Mycobacterium tuberculosis Probable DNA polymerase III (alpha chain) DnaE1 (DNA nucleotidyltransferase) 0.1098 0.3485 0.3423
Trypanosoma cruzi transcription factor btf3, putative 0.0184 0.0527 0.1157
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0067 0.0148 0.0633
Echinococcus granulosus JmjC domain containing protein 4 0.0048 0.0088 0.0376
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0048 0.0088 0.0019
Trypanosoma brucei developmentally regulated phosphoprotein 0.005 0.0093 0.0034
Brugia malayi GRF zinc finger family protein 0.0114 0.03 0.1226
Toxoplasma gondii DNA topoisomerase family protein 0.0114 0.03 0.0253
Echinococcus multilocularis lamin dm0 0.0078 0.0184 0.0788
Leishmania major DNA topoisomerase III, putative 0.0114 0.03 0.0569
Plasmodium vivax endoplasmin, putative 0.005 0.0093 0.0045
Toxoplasma gondii DNA topoisomerase 2, putative 0.0742 0.2332 0.2294
Echinococcus multilocularis polycomb protein SCMH1 0.0038 0.0056 0.0239
Trypanosoma brucei heat shock protein, putative 0.005 0.0093 0.0034
Loa Loa (eye worm) hypothetical protein 0.0039 0.0059 0.0174
Echinococcus multilocularis L aminoadipate semialdehyde 0.0067 0.0148 0.0633
Mycobacterium leprae Probable DNA topoisomerase I TopA (omega-protein) (relaxing enzyme) (untwisting enzyme) (swivelase) (type I DNA topoisomerase) ( 0.0114 0.03 0.0447
Trichomonas vaginalis two component sensor and regulator histidine kinase bacteria, putative 0.005 0.0093 0.0196
Toxoplasma gondii heat shock protein HSP90 0.005 0.0093 0.0045
Trypanosoma cruzi heat shock protein 90, putative 0.005 0.0093 0.0034
Schistosoma mansoni myelin transcription factor 1 myt1 0.0044 0.0073 0.0312
Loa Loa (eye worm) hypothetical protein 0.0129 0.035 0.143
Trypanosoma brucei trypanothione reductase 0.0053 0.0103 0.0058
Schistosoma mansoni jumonji domain containing protein 0.0048 0.0088 0.0376
Trichomonas vaginalis conserved hypothetical protein 0.0184 0.0527 0.2095
Leishmania major heat shock protein 83-1 0.005 0.0093 0.0034
Trypanosoma brucei DNA topoisomerase III, putative 0.0114 0.03 0.0569
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.018 0.0516 0.2211
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.012 0.0322 0.0231
Trichomonas vaginalis sensor histidine kinase, putative 0.005 0.0093 0.0196
Brugia malayi hypothetical protein 0.0028 0.0024 0.0033
Leishmania major heat shock protein 83-1 0.005 0.0093 0.0034
Brugia malayi jmjC domain containing protein 0.0048 0.0088 0.0309
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0028 0.0024 0.0102
Loa Loa (eye worm) glutathione reductase 0.0053 0.0103 0.0363
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0033 0.004 0.0172
Entamoeba histolytica DNA topoisomerase III, putative 0.0114 0.03 0.1197
Trichomonas vaginalis prokaryotic DNA topoisomerase, putative 0.0114 0.03 0.1101
Trypanosoma brucei DNA topoisomerase ii 0.1239 0.3942 1
Brugia malayi HSF-type DNA-binding domain containing protein 0.0078 0.0185 0.073
Trypanosoma brucei heat shock protein 90, putative 0.005 0.0093 0.0034
Echinococcus multilocularis phd:f box containing protein 0.0048 0.0088 0.0376
Leishmania major trypanothione reductase 0.0053 0.0103 0.0058

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 1347 nM BindingDB_Patents: Homogeneous Time-Resolved Fluorescence (HTRF). In vitro inhibition of 11beta -HSD1 by test compounds was determined with HTRF (Homogeneous Time-Resolved Fluorescence) technology (cisbio international, France) detecting cortisol generated from cortisterone by human liver microsomes. Briefly, compounds were incubated for 1 hour at 37 C. in Tris buffer (20 mM tris, 5 mM EDTA, pH 6.0) containing NADPH (200 uM) and cortisone (80 nM). Cortisol generated in the reaction is then detected with a competitive immunoassay, involving two HTRF conjugates: cortisol linked to XL665 and anti-cortisol antibody labeled with Europium cryptate. The incubation period for detection reaction was typically 2 hours. The amount of cortisol is determined by reading the time-resolved fluorescence of the wells (Ex 320/75 nm; Em 615/8.5 nm and 665/7.5 nm). The ratio of the two emission signals is then calculated (Em665*10000/Em615). ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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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