Detailed information for compound 1729651

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 282.314 | Formula: C9H18N2O6S
  • H donors: 2 H acceptors: 4 LogP: 0.55 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)[C@@H](NS(=O)(=O)NC(=O)OC(C)(C)C)C
  • InChi: 1S/C9H18N2O6S/c1-6(7(12)16-5)10-18(14,15)11-8(13)17-9(2,3)4/h6,10H,1-5H3,(H,11,13)/t6-/m0/s1
  • InChiKey: GNCCTDKUYQRHGJ-LURJTMIESA-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 carbonic anhydrase XIV Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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) nuclear hormone receptor-like 1 0.003 0.0212 0.0567
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0222 0.0185
Echinococcus multilocularis thioredoxin glutathione reductase 0.0051 0.0516 0.0516
Plasmodium vivax hypothetical protein, conserved 0.003 0.0214 0.3683
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0029 0.0204 0.0204
Echinococcus granulosus Glycosyl transferase family 35 0.0228 0.3067 0.3067
Loa Loa (eye worm) thioredoxin reductase 0.0051 0.0516 0.1377
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0222 0.0222
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.0304 0.0268
Brugia malayi nuclear hormone receptor 0.0027 0.0166 0.0383
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0056 0.0595 0.0559
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0034 0.0266 0.023
Loa Loa (eye worm) latrophilin receptor protein 2 0.0029 0.0204 0.0544
Schistosoma mansoni nuclear hormone receptor 0.0056 0.0595 0.0559
Brugia malayi hypothetical protein 0.0032 0.0248 0.0603
Mycobacterium ulcerans glycogen phosphorylase GlgP 0.0099 0.1204 0.394
Schistosoma mansoni carbonic anhydrase-related 0.0034 0.0266 0.023
Entamoeba histolytica glycogen phosphorylase, putative 0.0228 0.3067 1
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0.0113 0.0254
Schistosoma mansoni nuclear receptor 0.0027 0.0166 0.0129
Loa Loa (eye worm) MH2 domain-containing protein 0.0118 0.1478 0.3945
Brugia malayi Nuclear hormone receptor E75 0.0027 0.0166 0.0383
Brugia malayi RNA binding protein 0.0065 0.0718 0.1865
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0056 0.0595 0.1534
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0255 0.3448 1
Schistosoma mansoni glutaminase 0.0224 0.2997 0.2971
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.0113 0.022
Brugia malayi Intermediate filament tail domain containing protein 0.0031 0.0232 0.0558
Trichomonas vaginalis glucosylceramidase, putative 0.0181 0.2384 0.6326
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0034 0.0266 0.0652
Brugia malayi hypothetical protein 0.0027 0.0171 0.0395
Echinococcus multilocularis carbonic anhydrase 0.0034 0.0266 0.0266
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.0113 0.0248
Loa Loa (eye worm) hypothetical protein 0.0027 0.0166 0.0444
Loa Loa (eye worm) PHD-finger family protein 0.003 0.0214 0.0571
Onchocerca volvulus 0.003 0.0222 0.0179
Schistosoma mansoni hypothetical protein 0.0029 0.0204 0.0167
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0027 0.0166 0.0129
Brugia malayi tailless protein 0.0027 0.0166 0.0383
Trypanosoma cruzi polo-like protein kinase, putative 0.0193 0.2561 0.7399
Onchocerca volvulus 0.0056 0.0595 0.1385
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0276 0.3746 1
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0113 0.1569
Loa Loa (eye worm) hypothetical protein 0.0056 0.0595 0.1587
Onchocerca volvulus 0.0174 0.2292 0.6877
Trichomonas vaginalis glucosylceramidase, putative 0.0191 0.2523 0.6704
Giardia lamblia PHD finger protein 15 0.003 0.0214 0.0581
Brugia malayi nuclear receptor NHR-67 0.0027 0.0166 0.0383
Schistosoma mansoni serine/threonine protein kinase 0.0193 0.2561 0.2533
Loa Loa (eye worm) TAR-binding protein 0.0065 0.0718 0.1916
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0056 0.0595 0.0595
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0056 0.0595 0.1534
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0044 0.0412 0.1098
Schistosoma mansoni glycogen phosphorylase 0.0228 0.3067 0.3041
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.003 0.0218 1
Entamoeba histolytica hypothetical protein 0.0032 0.0248 0.0459
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0178 0.2347 0.6772
Brugia malayi PHD-finger family protein 0.003 0.0214 0.051
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0098 0.1192 0.1192
Trichomonas vaginalis myo inositol monophosphatase, putative 0.003 0.0218 0.0487
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0121 0.1518 0.4341
Loa Loa (eye worm) hypothetical protein 0.0056 0.0595 0.1587
Echinococcus multilocularis tar DNA binding protein 0.0065 0.0718 0.0718
Brugia malayi ecdysteroid receptor 0.0056 0.0595 0.1534
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0129 0.164 0.6937
Schistosoma mansoni lamin 0.0031 0.0232 0.0195
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0116 0.1453 0.613
Echinococcus multilocularis nuclear receptor nhr 48 0.0027 0.0166 0.0166
Plasmodium falciparum ataxin-2 like protein, putative 0.0042 0.0383 0.722
Loa Loa (eye worm) hypothetical protein 0.0027 0.0166 0.0444
Trypanosoma brucei carbonic anhydrase-like protein 0.0034 0.0266 0.0671
Echinococcus multilocularis peregrin 0.003 0.0214 0.0214
Schistosoma mansoni aldehyde dehydrogenase 0.0178 0.2347 0.2318
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0027 0.0166 0.0166
Trichomonas vaginalis CAMK family protein kinase 0.0096 0.1159 0.3024
Loa Loa (eye worm) hypothetical protein 0.0027 0.0166 0.0444
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0034 0.0266 0.0711
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0178 0.2347 0.2347
Schistosoma mansoni ap endonuclease 0.0023 0.0113 0.0075
Trichomonas vaginalis CAMK family protein kinase 0.0193 0.2561 0.6806
Schistosoma mansoni retinoic acid receptor RXR 0.0056 0.0595 0.0559
Brugia malayi nuclear receptor NHR-88 0.0027 0.0166 0.0383
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0193 0.2561 0.7399
Loa Loa (eye worm) hypothetical protein 0.0178 0.2345 0.626
Mycobacterium tuberculosis Conserved hypothetical protein 0.0134 0.1714 0.7259
Echinococcus granulosus inositol monophosphatase 1 0.003 0.0218 0.0218
Brugia malayi hypothetical protein 0.003 0.0212 0.0506
Trichomonas vaginalis glucosylceramidase, putative 0.0181 0.2384 0.6326
Entamoeba histolytica serine/threonine protein kinase, putative 0.0193 0.2561 0.8287
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0051 0.0516 0.2071
Plasmodium vivax ataxin-2 like protein, putative 0.0042 0.0383 0.722
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0222 0.0222
Leishmania major trypanothione reductase 0.0051 0.0516 0.1402
Plasmodium falciparum carbonic anhydrase 0.0034 0.0266 0.4784
Brugia malayi nuclear receptor RXR 0.0027 0.0166 0.0383
Leishmania major carbonic anhydrase-like protein 0.0034 0.0266 0.0671
Loa Loa (eye worm) hypothetical protein 0.0193 0.2564 0.6844
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0271 0.3674 0.9809
Echinococcus multilocularis PHD finger protein rhinoceros 0.003 0.0214 0.0214
Trichomonas vaginalis glucosylceramidase, putative 0.0276 0.3746 1
Echinococcus multilocularis muscleblind protein 0.0152 0.1974 0.1974
Loa Loa (eye worm) hypothetical protein 0.003 0.0222 0.0592
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0056 0.0595 0.1587
Schistosoma mansoni RAR-like nuclear receptor 0.0056 0.0595 0.0559
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0056 0.0595 0.0595
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0113 0.1569
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0027 0.0166 0.0444
Echinococcus multilocularis lamin dm0 0.0031 0.0232 0.0232
Echinococcus granulosus nuclear receptor nhr 48 0.0027 0.0166 0.0166
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0027 0.0173 0.0585
Schistosoma mansoni hypothetical protein 0.0032 0.0248 0.0211
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0056 0.0595 0.1534
Schistosoma mansoni carbonic anhydrase 0.0034 0.0266 0.023
Echinococcus granulosus carbonic anhydrase 0.0034 0.0266 0.0266
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0056 0.0595 0.1534
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0718 0.0683
Echinococcus granulosus FTZ F1 alpha 0.0056 0.0595 0.0595
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0255 0.3448 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0056 0.0595 0.0595
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0193 0.2561 0.6838
Chlamydia trachomatis glycogen phosphorylase 0.0228 0.3067 1
Trichomonas vaginalis glucosylceramidase, putative 0.0276 0.3746 1
Brugia malayi nuclear hormone receptor 0.0056 0.0595 0.1534
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.003 0.0218 0.0782
Entamoeba histolytica hypothetical protein 0.0032 0.0248 0.0459
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0056 0.0595 0.1534
Loa Loa (eye worm) hypothetical protein 0.0027 0.0166 0.0444
Brugia malayi Nuclear hormone receptor-like 1 0.003 0.0212 0.0506
Trichomonas vaginalis CAMK family protein kinase 0.0193 0.2561 0.6806
Echinococcus granulosus lysine specific demethylase 5A 0.0036 0.0304 0.0304
Echinococcus granulosus Nuclear hormone receptor HR96 0.0027 0.0166 0.0166
Loa Loa (eye worm) hypothetical protein 0.0092 0.1111 0.2965
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0065 0.0718 0.1916
Schistosoma mansoni hypothetical protein 0.0029 0.0204 0.0167
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0212 0.2835 0.7569
Loa Loa (eye worm) carbonic anhydrase 3 0.0034 0.0266 0.0711
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0056 0.0595 0.0595
Schistosoma mansoni carbonic anhydrase-related 0.0034 0.0266 0.023
Trichomonas vaginalis set domain proteins, putative 0.0242 0.3257 0.8682
Trichomonas vaginalis CAMK family protein kinase 0.0193 0.2561 0.6806
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0222 0.0185
Brugia malayi hypothetical protein 0.0027 0.0166 0.0383
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0121 0.1518 0.4341
Loa Loa (eye worm) hypothetical protein 0.0042 0.0383 0.1022
Schistosoma mansoni carbonic anhydrase-related 0.0034 0.0266 0.023
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0056 0.0595 0.1587
Trichomonas vaginalis glucosylceramidase, putative 0.0181 0.2384 0.6326
Loa Loa (eye worm) hypothetical protein 0.0027 0.0166 0.0444
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0056 0.0595 0.1534
Echinococcus granulosus glycogen phosphorylase 0.0228 0.3067 0.3067
Schistosoma mansoni lamin 0.0031 0.0232 0.0195
Loa Loa (eye worm) hypothetical protein 0.0051 0.0521 0.139
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0121 0.1518 0.4341
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0222 0.0185
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0056 0.0595 0.1587
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.003 0.0218 0.061
Entamoeba histolytica hypothetical protein 0.0032 0.0248 0.0459
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.003 0.0214 0.0177
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0029 0.0204 0.0484
Echinococcus granulosus jumonji domain containing protein 0.0042 0.0382 0.0382
Mycobacterium ulcerans aldehyde dehydrogenase 0.0178 0.2347 0.7804
Trichomonas vaginalis CAMK family protein kinase 0.0193 0.2561 0.6806
Brugia malayi photoreceptor-specific nuclear receptor 0.0056 0.0595 0.1534
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0039 0.0351 0.0879
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.003 0.0212 0.0175
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.0113 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0056 0.0595 0.0595
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0034 0.0266 0.0652
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0036 0.0299 0.0767
Brugia malayi nuclear receptor NHR-88 0.0056 0.0595 0.1534
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0222 0.0797
Echinococcus multilocularis FTZ F1 alpha 0.0056 0.0595 0.0595
Schistosoma mansoni glycogen phosphorylase 0.0228 0.3067 0.3041
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0031 0.0232 0.0618
Trypanosoma cruzi trypanothione reductase, putative 0.0051 0.0516 0.1402
Loa Loa (eye worm) glutaminase 0.0224 0.2997 0.8001
Loa Loa (eye worm) hypothetical protein 0.0056 0.0595 0.1587
Schistosoma mansoni coup transcription factor 0.0056 0.0595 0.0559
Loa Loa (eye worm) intermediate filament protein 0.0031 0.0232 0.0618
Echinococcus granulosus carbonic anhydrase II 0.0034 0.0266 0.0266
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0113 0.0301
Echinococcus granulosus thioredoxin glutathione reductase 0.0051 0.0516 0.0516
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0193 0.2561 0.2561
Entamoeba histolytica glycogen phosphorylase, putative 0.0099 0.1204 0.3692
Brugia malayi Bromodomain containing protein 0.003 0.0214 0.051
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0027 0.0166 0.0166
Mycobacterium tuberculosis Probable reductase 0.0116 0.1453 0.613
Loa Loa (eye worm) hypothetical protein 0.003 0.0214 0.0571
Schistosoma mansoni kinase 0.0098 0.1196 0.1162
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0032 0.0248 0.0248
Toxoplasma gondii PHD-finger domain-containing protein 0.003 0.0214 0.0763
Echinococcus granulosus peregrin 0.003 0.0214 0.0214
Brugia malayi glutathione reductase 0.0051 0.0516 0.1322
Mycobacterium ulcerans glutaminase 0.0224 0.2997 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0212 0.0567
Loa Loa (eye worm) hypothetical protein 0.0174 0.2292 0.6118
Trichomonas vaginalis glucosylceramidase, putative 0.0181 0.2384 0.6326
Loa Loa (eye worm) hypothetical protein 0.0031 0.0223 0.0596
Loa Loa (eye worm) glutathione reductase 0.0051 0.0516 0.1377
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0129 0.164 1
Echinococcus multilocularis carbonic anhydrase II 0.0034 0.0266 0.0266
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0034 0.0266 0.023
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0.0113 0.0325
Schistosoma mansoni retinoid-x-receptor (RXR) 0.003 0.0212 0.0175
Brugia malayi Inositol-1 0.003 0.0218 0.0522
Echinococcus multilocularis lamin 0.0031 0.0232 0.0232
Trichomonas vaginalis myo inositol monophosphatase, putative 0.003 0.0218 0.0487
Plasmodium vivax glutathione reductase, putative 0.0051 0.0516 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0212 0.0567
Brugia malayi Nuclear hormone receptor-like 1 0.0056 0.0595 0.1534
Brugia malayi latrophilin 2 splice variant baaae 0.0063 0.0691 0.1792
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0116 0.1453 0.613
Echinococcus granulosus Nuclear hormone receptor HR96 0.0027 0.0166 0.0166
Trichomonas vaginalis inositol monophosphatase, putative 0.003 0.0218 0.0487
Trypanosoma cruzi PAB1-binding protein , putative 0.0042 0.0383 0.1012
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0718 0.0683
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0718 0.0683
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0113 0.0239
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0056 0.0595 0.0559
Trichomonas vaginalis CAMK family protein kinase 0.0193 0.2561 0.6806
Schistosoma mansoni inositol monophosphatase 0.003 0.0218 0.0181
Loa Loa (eye worm) hypothetical protein 0.0056 0.0595 0.1587
Brugia malayi Nuclear hormone receptor-like 1 0.003 0.0212 0.0506
Loa Loa (eye worm) glycogen phosphorylase 0.0228 0.3067 0.8189
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0034 0.0266 0.0671
Brugia malayi hypothetical protein 0.0193 0.2564 0.6824
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0056 0.0595 0.1534
Brugia malayi Pre-SET motif family protein 0.003 0.0222 0.0532
Schistosoma mansoni glycogen phosphorylase 0.0099 0.1204 0.117
Brugia malayi serine/threonine-protein kinase plk-2 0.0193 0.2561 0.6818
Loa Loa (eye worm) jmjC domain-containing protein 0.0036 0.0304 0.0812
Echinococcus multilocularis inositol monophosphatase 1 0.003 0.0218 0.0218
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.0113 0.022
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0056 0.0595 0.0559
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0178 0.2347 1
Trypanosoma brucei PAB1-binding protein , putative 0.0042 0.0383 0.1012
Loa Loa (eye worm) hypothetical protein 0.003 0.0212 0.0567
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0029 0.0204 0.0204
Schistosoma mansoni thyroid hormone receptor 0.0056 0.0595 0.0559
Trichomonas vaginalis CAMK family protein kinase 0.0193 0.2561 0.6806
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0206 0.0206
Schistosoma mansoni steroid hormone receptor ad4bp 0.0056 0.0595 0.0559
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0027 0.0166 0.0383
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0056 0.0595 0.1534
Brugia malayi follicle stimulating hormone receptor 0.0271 0.3674 0.9808
Trichomonas vaginalis glucosylceramidase, putative 0.0181 0.2384 0.6326
Loa Loa (eye worm) hypothetical protein 0.0034 0.0266 0.0711
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0113 0.0113
Trypanosoma cruzi polo-like protein kinase, putative 0.0193 0.2561 0.7399
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0024 0.0063
Trichomonas vaginalis glucosylceramidase, putative 0.0276 0.3746 1
Schistosoma mansoni hypothetical protein 0.0019 0.0053 0.0015
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0027 0.0166 0.0166
Echinococcus granulosus glycogen phosphorylase 0.0228 0.3067 0.3067
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.003 0.0212 0.0212
Brugia malayi hypothetical protein 0.003 0.0212 0.0506
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0056 0.0595 0.1587
Schistosoma mansoni hypothetical protein 0.0063 0.0691 0.0656
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0193 0.2561 0.2561
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0034 0.0266 0.0652
Loa Loa (eye worm) hypothetical protein 0.0056 0.0595 0.1587
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0018 0.0038 0.0038
Loa Loa (eye worm) hypothetical protein 0.0063 0.0691 0.1844
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.003 0.0218 0.0529
Entamoeba histolytica myo-inositol monophosphatase, putative 0.003 0.0218 0.0357
Toxoplasma gondii LsmAD domain-containing protein 0.0042 0.0383 0.1495
Onchocerca volvulus 0.0242 0.3257 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.0113 0.022
Loa Loa (eye worm) steroid hormone receptor 0.0056 0.0595 0.1587
Mycobacterium tuberculosis Probable oxidoreductase 0.0129 0.164 0.6937
Echinococcus granulosus tar DNA binding protein 0.0065 0.0718 0.0718
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0056 0.0595 0.1587
Onchocerca volvulus Protein ultraspiracle homolog 0.0056 0.0595 0.1385
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0029 0.0204 0.0204
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0034 0.0266 0.0671
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0027 0.0166 0.0166
Loa Loa (eye worm) hypothetical protein 0.0152 0.1974 0.527
Brugia malayi hypothetical protein 0.0027 0.0166 0.0383
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0056 0.0595 0.0595
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0718 0.0683
Loa Loa (eye worm) hypothetical protein 0.003 0.0212 0.0567
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0178 0.2345 0.7049
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0113 0.0202
Loa Loa (eye worm) hypothetical protein 0.003 0.0212 0.0567
Loa Loa (eye worm) hypothetical protein 0.0056 0.0595 0.1587
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0034 0.0266 0.0652
Schistosoma mansoni survival motor neuron protein 0.0039 0.0351 0.0315
Trypanosoma brucei polo-like protein kinase 0.0193 0.2561 0.7399
Brugia malayi intermediate filament protein 0.0031 0.0232 0.0558
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0056 0.0595 0.0559
Schistosoma mansoni nuclear receptor nhr-48 0.0027 0.0166 0.0129
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0113 0.4157
Echinococcus multilocularis jumonji domain containing protein 0.0042 0.0382 0.0382
Loa Loa (eye worm) RNA binding protein 0.0065 0.0718 0.1916
Brugia malayi Pre-SET motif family protein 0.0212 0.2835 0.7554
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.003 0.0218 0.0529
Echinococcus multilocularis muscleblind protein 1 0.0152 0.1974 0.1974
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0034 0.0266 0.0652
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0027 0.0166 0.0166
Plasmodium falciparum glutathione reductase 0.0051 0.0516 1
Brugia malayi glutaminase DH11.1 0.0224 0.2997 0.7989
Loa Loa (eye worm) hypothetical protein 0.0056 0.0595 0.1587
Brugia malayi Nuclear hormone receptor E75 0.0027 0.0166 0.0383
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0129 0.164 0.6937
Mycobacterium ulcerans aldehyde dehydrogenase 0.0178 0.2347 0.7804
Schistosoma mansoni hypothetical protein 0.003 0.0214 0.0177
Schistosoma mansoni hypothetical protein 0.0039 0.0351 0.0315
Brugia malayi steroid hormone receptor 0.0056 0.0595 0.1534
Schistosoma mansoni zinc finger protein 0.0027 0.0166 0.0129
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0018 0.0038 0.0037
Toxoplasma gondii aldehyde dehydrogenase 0.0178 0.2347 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.0304 0.0268
Echinococcus multilocularis lysine specific demethylase 5A 0.0036 0.0304 0.0304
Brugia malayi Muscleblind-like protein 0.0152 0.1974 0.524
Trichomonas vaginalis glucosylceramidase, putative 0.0191 0.2523 0.6704
Giardia lamblia Kinase, PLK 0.0193 0.2561 0.833
Onchocerca volvulus Alhambra homolog 0.003 0.0214 0.0153
Brugia malayi orphan nuclear receptor NR2E1 0.0027 0.0166 0.0383
Brugia malayi nuclear hormone receptor family member odr-7 0.0027 0.0166 0.0383
Trichomonas vaginalis glucosylceramidase, putative 0.0276 0.3746 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0056 0.0595 0.1534
Plasmodium falciparum phd finger protein, putative 0.003 0.0214 0.3683
Entamoeba histolytica hypothetical protein 0.0032 0.0248 0.0459
Brugia malayi hypothetical protein 0.0174 0.2292 0.6093
Plasmodium vivax thioredoxin reductase, putative 0.0051 0.0516 1
Echinococcus granulosus PHD finger protein rhinoceros 0.003 0.0214 0.0214
Echinococcus granulosus lamin 0.0031 0.0232 0.0232
Echinococcus multilocularis Glycosyl transferase, family 35 0.0228 0.3067 0.3067
Brugia malayi jmjC domain containing protein 0.0098 0.1192 0.3137
Echinococcus multilocularis GPCR, family 2 0.0029 0.0204 0.0204
Brugia malayi nuclear hormone receptor family member nhr-6 0.0027 0.0166 0.0383
Echinococcus multilocularis carbonic anhydrase 0.0034 0.0266 0.0266
Echinococcus granulosus survival motor neuron protein 1 0.0193 0.2564 0.2564
Echinococcus granulosus intermediate filament protein 0.0031 0.0232 0.0232
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.0113 0.022
Brugia malayi jmjC domain containing protein 0.0036 0.0304 0.0753
Loa Loa (eye worm) hypothetical protein 0.0027 0.0166 0.0444
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0098 0.1192 0.1192
Echinococcus multilocularis glycogen phosphorylase 0.0228 0.3067 0.3067
Loa Loa (eye worm) glutaminase 2 0.0224 0.2997 0.8001
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0027 0.0166 0.0166
Toxoplasma gondii thioredoxin reductase 0.0051 0.0516 0.2071
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0056 0.0595 0.1534
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0116 0.1453 0.613
Brugia malayi nuclear receptor RXR 0.003 0.0212 0.0506
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0178 0.2347 0.2347
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.0222 0.0222
Loa Loa (eye worm) hypothetical protein 0.0034 0.0266 0.0711
Schistosoma mansoni hypothetical protein 0.0034 0.0266 0.023
Trichomonas vaginalis CAMK family protein kinase 0.0096 0.1159 0.3024
Schistosoma mansoni aldehyde dehydrogenase 0.0178 0.2347 0.2318
Brugia malayi N-terminal motif family protein 0.0178 0.2345 0.6236
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0034 0.0266 0.0652
Onchocerca volvulus Serine\/threonine kinase homolog 0.0193 0.2561 0.7749
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0032 0.0248 0.0248
Onchocerca volvulus Glycogen phosphorylase homolog 0.0228 0.3067 0.9387
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0222 0.0185
Mycobacterium tuberculosis Probable glycogen phosphorylase GlgP 0.0099 0.1204 0.5049
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0092 0.1111 0.2965
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0056 0.0595 0.1534
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0056 0.0595 0.0559
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0034 0.0266 0.0711
Echinococcus granulosus ecdysone induced protein 78C 0.0056 0.0595 0.0595
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0029 0.0204 0.0204
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0056 0.0595 0.1587
Loa Loa (eye worm) hypothetical protein 0.0029 0.0204 0.0544
Loa Loa (eye worm) hypothetical protein 0.0027 0.0166 0.0444
Loa Loa (eye worm) hypothetical protein 0.0152 0.1974 0.527
Loa Loa (eye worm) nuclear receptor NHR-67 0.0027 0.0166 0.0444
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0056 0.0595 0.0595
Plasmodium vivax SET domain protein, putative 0.003 0.0222 0.3849
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0018 0.0038 0.0038
Schistosoma mansoni thyroid hormone receptor 0.0056 0.0595 0.0559
Trichomonas vaginalis glucosylceramidase, putative 0.0181 0.2384 0.6326
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0276 0.3746 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0092 0.1111 0.292
Loa Loa (eye worm) hypothetical protein 0.0056 0.0595 0.1587
Toxoplasma gondii PHD-finger domain-containing protein 0.003 0.0214 0.0763
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0027 0.0166 0.0166
Onchocerca volvulus Bile acid receptor homolog 0.0056 0.0595 0.1385
Trichomonas vaginalis glycogen phosphorylase, putative 0.0228 0.3067 0.8171
Trypanosoma brucei trypanothione reductase 0.0051 0.0516 0.1402
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0019 0.0053 0.0053
Schistosoma mansoni hypothetical protein 0.0029 0.0204 0.0167
Mycobacterium ulcerans aldehyde dehydrogenase 0.0178 0.2347 0.7804
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0056 0.0595 0.1534
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0056 0.0595 0.1587
Schistosoma mansoni nuclear hormone receptor 0.0027 0.0166 0.0129
Leishmania major mitochondrial DNA polymerase beta 0.0255 0.3448 1
Giardia lamblia Glycogen phosphorylase 0.0228 0.3067 1
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0255 0.3448 1
Echinococcus multilocularis musashi 0.0031 0.0232 0.0232
Brugia malayi Latrophilin receptor protein 2 0.0029 0.0204 0.0484
Loa Loa (eye worm) hypothetical protein 0.0031 0.0232 0.0618
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0056 0.0595 0.0595
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0056 0.0595 0.0595
Brugia malayi TAR-binding protein 0.0065 0.0718 0.1865
Onchocerca volvulus Glucosylceramidase homolog 0.0181 0.2384 0.7174
Plasmodium falciparum thioredoxin reductase 0.0051 0.0516 1
Trichomonas vaginalis glucosylceramidase, putative 0.0276 0.3746 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0056 0.0595 0.0595
Echinococcus multilocularis survival motor neuron protein 1 0.0193 0.2564 0.2564
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0116 0.1453 0.613
Echinococcus granulosus muscleblind protein 0.0152 0.1974 0.1974
Mycobacterium ulcerans hypothetical protein 0.0134 0.1714 0.5665
Schistosoma mansoni intermediate filament proteins 0.0031 0.0232 0.0195
Schistosoma mansoni nuclear receptor 0.0027 0.0166 0.0129
Loa Loa (eye worm) hypothetical protein 0.0027 0.0166 0.0444
Loa Loa (eye worm) nuclear hormone receptor 0.0027 0.0166 0.0444
Echinococcus multilocularis carbonic anhydrase 0.0034 0.0266 0.0266
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0036 0.0299 0.0767
Loa Loa (eye worm) jmjC domain-containing protein 0.0062 0.0671 0.1792
Schistosoma mansoni nuclear hormone receptor 0.0027 0.0166 0.0129
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0056 0.0595 0.0595
Loa Loa (eye worm) transcription factor SMAD2 0.0118 0.1478 0.3945
Entamoeba histolytica glycogenphosphorylase, putative 0.0099 0.1204 0.3692
Loa Loa (eye worm) hypothetical protein 0.0027 0.0166 0.0444
Schistosoma mansoni ap endonuclease 0.0023 0.0113 0.0075
Entamoeba histolytica glycogen phosphorylase, putative 0.0228 0.3067 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0092 0.1111 0.292
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0034 0.0266 0.0652
Toxoplasma gondii exonuclease III APE 0.0023 0.0113 0.0325
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0027 0.0166 0.0129
Brugia malayi ecdysone receptor 0.0027 0.0166 0.0383
Echinococcus granulosus GPCR family 2 0.0029 0.0204 0.0204
Echinococcus multilocularis glycogen phosphorylase 0.0228 0.3067 0.3067
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0056 0.0595 0.1534
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0056 0.0595 0.1385
Leishmania major hypothetical protein, conserved 0.0042 0.0383 0.1012
Schistosoma mansoni inositol monophosphatase 0.003 0.0218 0.0181
Echinococcus granulosus carbonic anhydrase 0.0034 0.0266 0.0266
Echinococcus multilocularis thyroid hormone receptor alpha 0.0056 0.0595 0.0595
Onchocerca volvulus 0.0031 0.0232 0.0211
Brugia malayi MH2 domain containing protein 0.0118 0.1478 0.3906
Toxoplasma gondii hypothetical protein 0.0034 0.0266 0.0991
Loa Loa (eye worm) hypothetical protein 0.0027 0.0166 0.0444
Schistosoma mansoni jumonji domain containing protein 0.0078 0.0902 0.0868
Brugia malayi RNA recognition motif domain containing protein 0.0065 0.0718 0.1865
Trypanosoma cruzi PAB1-binding protein , putative 0.0042 0.0383 0.1012
Loa Loa (eye worm) DR-78 0.0027 0.0166 0.0444
Loa Loa (eye worm) hypothetical protein 0.0034 0.0266 0.0711
Toxoplasma gondii hypothetical protein 0.0041 0.0375 0.1461
Trichomonas vaginalis glucosylceramidase, putative 0.0276 0.3746 1
Entamoeba histolytica glycogen phosphorylase, putative 0.0099 0.1204 0.3692
Brugia malayi Steroid receptor seven-up type 2 0.0056 0.0595 0.1534
Plasmodium falciparum ataxin-2 like protein, putative 0.0042 0.0383 0.722
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.003 0.0212 0.0212
Brugia malayi conserved hypotetical protein 0.0027 0.0166 0.0383
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.003 0.0218 0.0529
Brugia malayi carbohydrate phosphorylase 0.0228 0.3067 0.8177
Echinococcus granulosus lamin dm0 0.0031 0.0232 0.0232
Brugia malayi hypothetical protein 0.0042 0.0383 0.0965
Onchocerca volvulus 0.0031 0.0232 0.0211
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0036 0.0299 0.0767
Brugia malayi Thioredoxin reductase 0.0051 0.0516 0.1322
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0056 0.0595 0.0595
Loa Loa (eye worm) hypothetical protein 0.0027 0.0166 0.0444
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0056 0.0595 0.0595
Loa Loa (eye worm) inositol-1 0.003 0.0218 0.0582
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0036 0.0299 0.0767
Trichomonas vaginalis glycogen phosphorylase, putative 0.0228 0.3067 0.8171
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0019 0.0053 0.0053
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0113 0.0113
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0116 0.1453 0.873
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0056 0.0595 0.0559
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0113 0.0202
Trichomonas vaginalis glutaminase, putative 0.0224 0.2997 0.7981
Mycobacterium tuberculosis Probable dehydrogenase 0.0116 0.1453 0.613
Onchocerca volvulus 0.0039 0.0351 0.0597
Loa Loa (eye worm) hypothetical protein 0.0027 0.0166 0.0444
Echinococcus granulosus thyroid hormone receptor alpha 0.0027 0.0166 0.0166
Loa Loa (eye worm) hypothetical protein 0.0027 0.0166 0.0444
Schistosoma mansoni transcription factor LCR-F1 0.0032 0.0248 0.0211
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0056 0.0595 0.0595
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0718 0.0683
Trichomonas vaginalis CAMK family protein kinase 0.0193 0.2561 0.6806
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.003 0.0218 0.0529
Echinococcus granulosus carbonic anhydrase 0.0034 0.0266 0.0266
Trichomonas vaginalis glucosylceramidase, putative 0.0181 0.2384 0.6326
Schistosoma mansoni hypothetical protein 0.0029 0.0204 0.0167

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 5.38 uM Inhibition of human carbonic anhydrase 14 preincubated for 15 mins by CO2 hydration stopped-flow assay ChEMBL. 23266178
Ki (binding) = 54.5 uM Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration stopped-flow assay ChEMBL. 23266178
Ki (binding) > 200 uM Inhibition of human carbonic anhydrase 7 preincubated for 15 mins by CO2 hydration stopped-flow assay ChEMBL. 23266178
Ki (binding) > 200 uM Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assay ChEMBL. 23266178
Ki (binding) > 200 uM Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration stopped-flow assay ChEMBL. 23266178

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.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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