Detailed information for compound 1526118

Basic information

Technical information
  • TDR Targets ID: 1526118
  • Name: sodium 3-methylbutanoate
  • MW: 124.114 | Formula: C5H9NaO2
  • H donors: 1 H acceptors: 2 LogP: 1.05 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(CC(=O)[O-])C.[Na+]
  • InChi: 1S/C5H10O2.Na/c1-4(2)3-5(6)7;/h4H,3H2,1-2H3,(H,6,7);/q;+1/p-1
  • InChiKey: JJZAWYXASMCCLB-UHFFFAOYSA-M  


Substructure search Similarity search

Network

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Synonyms

  • sodium 3-methylbutyrate
  • 539-66-2
  • 3-METHYLBUTANOIC ACID, SODIUM SALT
  • EINECS 208-723-5
  • Sodium isovalerate

Targets

Known targets for this compound

No curated genes were found associated with this compound

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
Schistosoma mansoni hypothetical protein 0.0177 0.2161 0.2418
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0099 0.1092 0.1222
Brugia malayi Pre-SET motif family protein 0.0232 0.2915 0.6865
Brugia malayi Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein 0.0274 0.349 0.8219
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0035 0.0208 0.0233
Trypanosoma cruzi hypothetical protein, conserved 0.0117 0.1338 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0208 0.0491
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0117 0.1338 0.1497
Trichomonas vaginalis conserved hypothetical protein 0.0052 0.044 0.1258
Leishmania major cathepsin L-like protease 0.0064 0.0603 0.4433
Schistosoma mansoni alpha-glucosidase 0.0283 0.3618 0.4047
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0117 0.1338 0.315
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0035 0.0208 0.0491
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0187 0.0209
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0177 0.0474
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0018 0.04
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0099 0.1092 0.1222
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0052 0.044 0.1258
Brugia malayi Glycosyl hydrolases family 31 protein 0.0027 0.0104 0.0244
Schistosoma mansoni thyroid hormone receptor 0.0035 0.0208 0.0233
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0035 0.0208 0.0491
Trypanosoma cruzi metacaspase 5, putative 0.0052 0.044 0.3202
Loa Loa (eye worm) hypothetical protein 0.0056 0.0503 0.1185
Trichomonas vaginalis conserved hypothetical protein 0.0052 0.044 0.1258
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0035 0.0208 0.0233
Schistosoma mansoni retinoic acid receptor RXR 0.0035 0.0208 0.0233
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0117 0.1338 0.315
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0099 0.1092 0.1222
Echinococcus granulosus caspase 8 0.0052 0.044 0.0493
Loa Loa (eye worm) steroid hormone receptor 0.0035 0.0208 0.0491
Schistosoma mansoni alpha-glucosidase 0.0283 0.3618 0.4047
Echinococcus granulosus inositol monophosphatase 1 0.0078 0.0797 0.0891
Trypanosoma cruzi hypothetical protein, conserved 0.0073 0.0732 0.5415
Onchocerca volvulus 0.0048 0.0392 0.1167
Echinococcus multilocularis muscleblind protein 0.0148 0.1758 0.1966
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0099 0.1092 0.1222
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0078 0.0797 0.5902
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0603 0.4433
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0073 0.0732 0.1725
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0035 0.0208 0.0233
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0099 0.1092 0.1222
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0035 0.0208 0.0491
Echinococcus multilocularis expressed protein 0.0033 0.0177 0.0198
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0076 0.1729
Trichomonas vaginalis maltase-glucoamylase, putative 0.0027 0.0104 0.0256
Trichomonas vaginalis conserved hypothetical protein 0.0052 0.044 0.1258
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0058 0.0527 0.386
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0035 0.0208 0.0233
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0078 0.0797 0.2319
Schistosoma mansoni peptidyl-glycine monooxygenase 0.0274 0.349 0.3905
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0603 0.4433
Schistosoma mansoni dopamine-beta-monooxygenase 0.0145 0.1727 0.1932
Trypanosoma brucei hypothetical protein, conserved 0.0117 0.1338 1
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.0427 0.1219
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0035 0.0208 0.0233
Onchocerca volvulus 0.0033 0.0187 0.0558
Brugia malayi Cell death protein 3 precursor 0.01 0.1102 0.2594
Trichomonas vaginalis alpha-glucosidase, putative 0.0073 0.0732 0.2127
Schistosoma mansoni rotamase 0.0033 0.0177 0.0198
Trypanosoma brucei metacaspase MCA2 0.0052 0.044 0.3202
Mycobacterium tuberculosis Probable esterase LipL 0.0117 0.1338 0.1322
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.0427 0.1219
Trichomonas vaginalis alpha-glucosidase, putative 0.0073 0.0732 0.2127
Echinococcus granulosus caspase 0.0137 0.1608 0.1799
Trichomonas vaginalis conserved hypothetical protein 0.0052 0.044 0.1258
Schistosoma mansoni subfamily C14A unassigned peptidase (C14 family) 0.0052 0.044 0.0493
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0076 0.0443
Trichomonas vaginalis conserved hypothetical protein 0.0052 0.044 0.1258
Mycobacterium ulcerans lipase LipD 0.0117 0.1338 0.3929
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0073 0.0732 0.9174
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0032 0.0167 0.1128
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0603 0.4433
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0603 0.4433
Echinococcus multilocularis thyroid hormone receptor alpha 0.0035 0.0208 0.0233
Loa Loa (eye worm) Pin1-type peptidyl-prolyl cis-trans isomerase 0.0033 0.0177 0.0417
Trypanosoma cruzi cysteine peptidase, putative 0.0064 0.0603 0.4433
Brugia malayi Pre-SET motif family protein 0.0033 0.0187 0.0441
Echinococcus granulosus neutral alpha glucosidase AB 0.0073 0.0732 0.0819
Plasmodium vivax hypothetical protein, conserved 0.0052 0.044 0.3292
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0099 0.1092 0.1222
Loa Loa (eye worm) hypothetical protein 0.0035 0.0208 0.0491
Mycobacterium tuberculosis Probable lipase LipD 0.0117 0.1338 0.1322
Mycobacterium ulcerans esterase/lipase LipP 0.0117 0.1338 0.3929
Brugia malayi nuclear receptor NHR-88 0.0035 0.0208 0.0491
Trypanosoma cruzi cysteine peptidase, putative 0.0064 0.0603 0.4433
Echinococcus granulosus histone lysine methyltransferase setb 0.0033 0.0187 0.0209
Loa Loa (eye worm) beta-lactamase 0.0117 0.1338 0.315
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0118 0.1343 0.1503
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0099 0.1092 0.2572
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0099 0.1092 0.2572
Trypanosoma cruzi metacaspase, putative 0.0052 0.044 0.3202
Leishmania major cathepsin L-like protease 0.0064 0.0603 0.4433
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0035 0.0208 0.0491
Echinococcus multilocularis geminin 0.0177 0.2161 0.2418
Giardia lamblia Kinase, CMGC MAPK 0.0051 0.0427 1
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0051 0.0427 0.3103
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0117 0.1338 0.1322
Loa Loa (eye worm) hypothetical protein 0.0117 0.1338 0.315
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.007 0.0685 0.0669
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0078 0.0797 0.5902
Leishmania major glycosyl hydrolase-like protein 0.0027 0.0104 0.0651
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0078 0.0797 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0021 0.0018 0.002
Trypanosoma cruzi metacaspase 5, putative 0.0052 0.044 0.3202
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0051 0.0427 0.3103
Brugia malayi ecdysteroid receptor 0.0035 0.0208 0.0491
Echinococcus multilocularis inositol monophosphatase 1 0.0078 0.0797 0.0891
Echinococcus granulosus caspase 3 0.0085 0.0898 0.1004
Treponema pallidum exodeoxyribonuclease (exoA) 0.0021 0.0018 0.5
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.0427 0.1219
Echinococcus multilocularis caspase 3 0.0085 0.0898 0.1004
Onchocerca volvulus 0.0117 0.1338 0.3987
Echinococcus granulosus FTZ F1 alpha 0.0035 0.0208 0.0233
Schistosoma mansoni caspase-7 (C14 family) 0.0137 0.1608 0.1799
Schistosoma mansoni thyroid hormone receptor 0.0035 0.0208 0.0233
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0052 0.044 0.1258
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0035 0.0208 0.0233
Echinococcus multilocularis beta LACTamase domain containing family member 0.0117 0.1338 0.1497
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0051 0.0427 0.3103
Loa Loa (eye worm) hypothetical protein 0.0035 0.0208 0.0491
Loa Loa (eye worm) glutaminase 2 0.0266 0.3378 0.7955
Loa Loa (eye worm) hypothetical protein 0.0117 0.1338 0.315
Echinococcus multilocularis caspase 0.0137 0.1608 0.1799
Trichomonas vaginalis alpha-glucosidase, putative 0.0027 0.0104 0.0256
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0035 0.0208 0.0491
Echinococcus multilocularis microtubule associated protein 2 0.0671 0.8938 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0073 0.0732 0.1725
Echinococcus multilocularis FTZ F1 alpha 0.0035 0.0208 0.0233
Brugia malayi MAP kinase sur-1 0.0051 0.0427 0.1006
Brugia malayi Nuclear hormone receptor-like 1 0.0035 0.0208 0.0491
Trichomonas vaginalis glutaminase, putative 0.0266 0.3378 1
Schistosoma mansoni inositol monophosphatase 0.0078 0.0797 0.0891
Loa Loa (eye worm) inositol-1 0.0078 0.0797 0.1876
Schistosoma mansoni alpha glucosidase 0.0073 0.0732 0.0819
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0035 0.0208 0.0233
Onchocerca volvulus Bile acid receptor homolog 0.0035 0.0208 0.0621
Onchocerca volvulus 0.0056 0.0503 0.1499
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0035 0.0208 0.0491
Loa Loa (eye worm) hypothetical protein 0.0117 0.1338 0.315
Trichomonas vaginalis conserved hypothetical protein 0.0052 0.044 0.1258
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0603 0.4433
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0603 0.4433
Plasmodium vivax metacaspase 1, putative 0.0052 0.044 0.3292
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0118 0.1343 0.1503
Trichomonas vaginalis set domain proteins, putative 0.0264 0.3355 0.9932
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0052 0.044 0.1258
Brugia malayi Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1 0.0033 0.0177 0.0417
Echinococcus multilocularis ecdysone induced protein 78C 0.0035 0.0208 0.0233
Trypanosoma cruzi hypothetical protein, conserved 0.0117 0.1338 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0187 0.0209
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0052 0.044 0.3202
Trypanosoma brucei metacaspase 5, putative 0.0052 0.044 0.3202
Loa Loa (eye worm) hypothetical protein 0.0052 0.044 0.1037
Brugia malayi glutaminase DH11.1 0.0266 0.3378 0.7955
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0035 0.0208 0.0621
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0033 0.0187 0.0209
Echinococcus granulosus ecdysone induced protein 78C 0.0035 0.0208 0.0233
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0078 0.0797 0.5902
Schistosoma mansoni lipoxygenase 0.0118 0.1343 0.1503
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0052 0.044 0.3202
Echinococcus multilocularis neutral alpha glucosidase AB 0.0073 0.0732 0.0819
Echinococcus multilocularis lysosomal alpha glucosidase 0.0329 0.4246 0.4751
Echinococcus granulosus mitogen activated protein kinase 3 0.0051 0.0427 0.0478
Loa Loa (eye worm) glutaminase 0.0266 0.3378 0.7955
Trichomonas vaginalis alpha-glucosidase, putative 0.0027 0.0104 0.0256
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0076 0.0443
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0052 0.044 0.1258
Mycobacterium leprae Probable lipase LipE 0.0117 0.1338 1
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0076 0.0569
Onchocerca volvulus Cell death protein 3 homolog 0.01 0.1102 0.3284
Trichomonas vaginalis esterase, putative 0.0117 0.1338 0.3929
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0076 0.1729
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0117 0.1338 0.1497
Trypanosoma cruzi cysteine peptidase, putative 0.0064 0.0603 0.4433
Mycobacterium ulcerans beta-lactamase 0.0117 0.1338 0.3929
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0035 0.0208 0.0491
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative 0.0032 0.0167 0.1911
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0027 0.0104 0.0651
Trypanosoma cruzi metacaspase, putative 0.0052 0.044 0.3202
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0035 0.0208 0.0491
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0603 0.4433
Schistosoma mansoni nuclear hormone receptor 0.0035 0.0208 0.0233
Schistosoma mansoni lipoxygenase 0.0082 0.0858 0.096
Trypanosoma cruzi hypothetical protein, conserved 0.0073 0.0732 0.5415
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0078 0.0797 0.5902
Leishmania major hypothetical protein, conserved 0.0025 0.0076 0.0443
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0035 0.0208 0.0491
Toxoplasma gondii peptidylprolyl isomerase 0.0032 0.0167 0.1128
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.0427 0.1219
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0035 0.0208 0.0233
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0035 0.0208 0.0233
Trypanosoma cruzi metacaspase, putative 0.0052 0.044 0.3202
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0032 0.017 0.0191
Trichomonas vaginalis inositol monophosphatase, putative 0.0078 0.0797 0.2319
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0035 0.0208 0.0491
Mycobacterium tuberculosis Conserved protein 0.0117 0.1338 0.1322
Trichomonas vaginalis D-aminoacylase, putative 0.0117 0.1338 0.3929
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0117 0.1338 0.3929
Loa Loa (eye worm) hypothetical protein 0.0048 0.0392 0.0922
Schistosoma mansoni ap endonuclease 0.0021 0.0018 0.002
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0187 0.0209
Leishmania major alpha glucosidase II subunit, putative 0.0073 0.0732 0.5415
Leishmania major metacaspase, putative 0.0052 0.044 0.3202
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0052 0.044 0.1258
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0051 0.0427 0.3103
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0035 0.0208 0.0491
Loa Loa (eye worm) hypothetical protein 0.0035 0.0208 0.0491
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0117 0.1338 0.1322
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0035 0.0208 0.0233
Trichomonas vaginalis alpha-glucosidase, putative 0.0073 0.0732 0.2127
Trichomonas vaginalis alpha-glucosidase, putative 0.0027 0.0104 0.0256
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0027 0.0104 0.1103
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0052 0.044 0.1258
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0032 0.0167 0.1128
Echinococcus multilocularis caspase 2 0.01 0.1102 0.1233
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0035 0.0208 0.0233
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0078 0.0797 0.2319
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0027 0.0104 0.0256
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0073 0.0732 0.2127
Trichomonas vaginalis alpha-glucosidase, putative 0.0073 0.0732 0.2127
Leishmania major hypothetical protein, conserved 0.0117 0.1338 1
Brugia malayi mucosa associated lymphoid tissue lymphoma translocation protein 1 0.0052 0.044 0.1037
Brugia malayi beta-lactamase 0.0117 0.1338 0.315
Trichomonas vaginalis alpha-glucosidase, putative 0.0027 0.0104 0.0256
Mycobacterium tuberculosis Conserved protein 0.0117 0.1338 0.1322
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0232 0.2915 0.6865
Mycobacterium tuberculosis Conserved protein 0.0117 0.1338 0.1322
Echinococcus granulosus mitogen activated protein kinase 0.0051 0.0427 0.0478
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0021 0.0018 0.0042
Mycobacterium tuberculosis Probable lipase LipE 0.0117 0.1338 0.1322
Trypanosoma brucei glycosyl hydrolase-like protein 0.0027 0.0104 0.0651
Trypanosoma brucei metacaspase MCA3 0.0052 0.044 0.3202
Loa Loa (eye worm) hypothetical protein 0.0274 0.349 0.8219
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0329 0.4246 1
Trypanosoma brucei Metacaspase-4 0.0052 0.044 0.3202
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0076 0.0443
Schistosoma mansoni serine/threonine protein kinase 0.0051 0.0427 0.0478
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0051 0.0427 0.3103
Schistosoma mansoni cellular tumor antigen P53 0.0056 0.0503 0.0563
Loa Loa (eye worm) hypothetical protein 0.0117 0.1338 0.315
Echinococcus multilocularis muscleblind protein 1 0.0148 0.1758 0.1966
Trypanosoma cruzi major cysteine proteinase, putative 0.005 0.0416 0.3018
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0099 0.1092 0.1222
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0035 0.0208 0.0491
Trichomonas vaginalis alpha-glucosidase, putative 0.0073 0.0732 0.2127
Plasmodium vivax hypothetical protein, conserved 0.0117 0.1338 1
Toxoplasma gondii ABC1 family protein 0.0117 0.1338 1
Echinococcus multilocularis mitogen activated protein kinase 3 0.0051 0.0427 0.0478
Loa Loa (eye worm) hypothetical protein 0.0035 0.0208 0.0491
Brugia malayi photoreceptor-specific nuclear receptor 0.0035 0.0208 0.0491
Schistosoma mansoni peptidylglycine monooxygenase 0.0145 0.1727 0.1932
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase/rotamase, putative 0.0032 0.0167 0.1128
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0035 0.0208 0.0233
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0076 0.0443
Schistosoma mansoni caspase-7 (C14 family) 0.01 0.1102 0.1233
Mycobacterium tuberculosis Probable hydrolase 0.0117 0.1338 0.1322
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0035 0.0208 0.0491
Leishmania major peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative 0.0032 0.0167 0.1128
Trichomonas vaginalis maltase-glucoamylase, putative 0.0073 0.0732 0.2127
Trichomonas vaginalis D-aminoacylase, putative 0.0117 0.1338 0.3929
Mycobacterium ulcerans hypothetical protein 0.0117 0.1338 0.3929
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0033 0.0187 0.0209
Loa Loa (eye worm) hypothetical protein 0.0148 0.1758 0.4139
Trichomonas vaginalis penicillin-binding protein, putative 0.0117 0.1338 0.3929
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0078 0.0797 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0208 0.0491
Trichomonas vaginalis alpha-glucosidase, putative 0.0027 0.0104 0.0256
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0052 0.044 0.1258
Trypanosoma brucei glucosidase, putative 0.0073 0.0732 0.5415
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0018 0.0132
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0073 0.0732 0.2127
Plasmodium vivax SET domain protein, putative 0.0033 0.0187 0.1399
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0035 0.0208 0.0491
Echinococcus multilocularis peptidyl glycine alpha amidating monooxygenase 0.0274 0.349 0.3905
Brugia malayi Copper type II ascorbate-dependent monooxygenase, N-terminal domain containing protein 0.0074 0.0744 0.1751
Loa Loa (eye worm) hypothetical protein 0.0025 0.0076 0.0179
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0027 0.0104 0.0256
Echinococcus multilocularis caspase 8 0.0052 0.044 0.0493
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0051 0.0427 0.3103
Brugia malayi nuclear hormone receptor 0.0035 0.0208 0.0491
Loa Loa (eye worm) hypothetical protein 0.01 0.1102 0.2594
Loa Loa (eye worm) hypothetical protein 0.0035 0.0208 0.0491
Brugia malayi Muscleblind-like protein 0.0148 0.1758 0.4139
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0035 0.0208 0.0491
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0021 0.0018 0.002
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0051 0.0427 0.3103
Echinococcus granulosus geminin 0.0177 0.2161 0.2418
Leishmania major cathepsin L-like protease 0.0064 0.0603 0.4433
Loa Loa (eye worm) hypothetical protein 0.0035 0.0208 0.0491
Echinococcus granulosus beta LACTamase domain containing family member 0.0117 0.1338 0.1497
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0052 0.044 0.1258
Echinococcus granulosus expressed protein 0.0033 0.0177 0.0198
Trichomonas vaginalis D-aminoacylase, putative 0.0117 0.1338 0.3929
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0052 0.044 0.3202
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0073 0.0732 0.5415
Schistosoma mansoni glutaminase 0.0266 0.3378 0.3779
Echinococcus multilocularis caspase 3, apoptosis cysteine peptidase 0.0137 0.1608 0.1799
Onchocerca volvulus 0.0035 0.0208 0.0621
Trypanosoma cruzi cruzipain precursor, putative 0.0064 0.0603 0.4433
Loa Loa (eye worm) hypothetical protein 0.0117 0.1338 0.315
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0035 0.0208 0.0491
Loa Loa (eye worm) hypothetical protein 0.0117 0.1338 0.315
Schistosoma mansoni RAR-like nuclear receptor 0.0035 0.0208 0.0233
Brugia malayi Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein 0.0145 0.1727 0.4067
Mycobacterium ulcerans glutaminase 0.0266 0.3378 1
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0073 0.0732 0.9174
Plasmodium falciparum metacaspase-like protein 0.0052 0.044 1
Loa Loa (eye worm) hypothetical protein 0.0145 0.1727 0.4067
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0035 0.0208 0.0233
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0033 0.0187 0.1284
Echinococcus granulosus lysosomal alpha glucosidase 0.0329 0.4246 0.4751
Trypanosoma brucei protein kinase, putative 0.0051 0.0427 0.3103
Echinococcus granulosus apoptotic protease activating factor 1 0.0048 0.0392 0.0438
Trichomonas vaginalis sucrase-isomaltase, putative 0.0073 0.0732 0.2127
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0078 0.0797 0.2319
Onchocerca volvulus 0.0117 0.1338 0.3987
Brugia malayi beta-lactamase family protein 0.0117 0.1338 0.315
Brugia malayi beta-lactamase family protein 0.0117 0.1338 0.315
Loa Loa (eye worm) hypothetical protein 0.0033 0.0187 0.0441
Schistosoma mansoni hypothetical protein 0.0048 0.0392 0.0438
Echinococcus multilocularis mitogen activated protein kinase 0.0051 0.0427 0.0478
Loa Loa (eye worm) hypothetical protein 0.0027 0.0104 0.0244
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0052 0.044 0.1258
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0035 0.0208 0.0491
Trypanosoma brucei metacaspase 0.0052 0.044 0.3202
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0035 0.0208 0.0233
Onchocerca volvulus Protein ultraspiracle homolog 0.0035 0.0208 0.0621
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0035 0.0208 0.0233
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0078 0.0797 0.5902
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0603 0.4433
Schistosoma mansoni inositol monophosphatase 0.0078 0.0797 0.0891
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0035 0.0208 0.0233
Plasmodium falciparum metacaspase 1 0.0052 0.044 1
Brugia malayi steroid hormone receptor 0.0035 0.0208 0.0491
Schistosoma mansoni steroid hormone receptor ad4bp 0.0035 0.0208 0.0233
Brugia malayi Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein 0.0072 0.0714 0.1681
Onchocerca volvulus 0.0117 0.1338 0.3987
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0035 0.0208 0.0491
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0117 0.1338 0.1322
Onchocerca volvulus Uncharacterized family 31 glucosidase KIAA1161 homolog 0.0027 0.0104 0.0309
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0035 0.0208 0.0491
Onchocerca volvulus 0.019 0.2342 0.6981
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0051 0.0427 0.3103
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0603 0.4433
Brugia malayi Steroid receptor seven-up type 2 0.0035 0.0208 0.0491
Echinococcus granulosus tumor protein p63 0.0385 0.5009 0.5604
Schistosoma mansoni caspase-3 (C14 family) 0.0137 0.1608 0.1799
Loa Loa (eye worm) hypothetical protein 0.0148 0.1758 0.4139
Trichomonas vaginalis penicillin-binding protein, putative 0.0117 0.1338 0.3929
Trichomonas vaginalis rotamase, putative 0.0032 0.0167 0.0443
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0051 0.0427 0.1006
Brugia malayi hypothetical protein 0.0025 0.0076 0.0179
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0603 0.4433
Schistosoma mansoni hypothetical protein 0.0177 0.2161 0.2418
Onchocerca volvulus 0.0264 0.3355 1
Echinococcus granulosus muscleblind protein 0.0148 0.1758 0.1966
Schistosoma mansoni microtubule-associated protein tau 0.0671 0.8938 1
Brugia malayi exodeoxyribonuclease III family protein 0.0021 0.0018 0.0042
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0033 0.0187 0.0209
Echinococcus granulosus caspase 3 apoptosis cysteine peptidase 0.0137 0.1608 0.1799
Echinococcus granulosus microtubule associated protein 2 0.0671 0.8938 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0329 0.4246 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0035 0.0208 0.0491
Mycobacterium leprae conserved hypothetical protein 0.0117 0.1338 1
Echinococcus multilocularis tumor protein p63 0.0385 0.5009 0.5604
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0035 0.0208 0.0233
Schistosoma mansoni ap endonuclease 0.0021 0.0018 0.002
Trypanosoma cruzi metacaspase, putative 0.0052 0.044 0.3202
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0035 0.0208 0.0233
Trichomonas vaginalis rotamase, putative 0.0033 0.0177 0.0474
Brugia malayi Inositol-1 0.0078 0.0797 0.1876
Schistosoma mansoni coup transcription factor 0.0035 0.0208 0.0233
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0035 0.0208 0.0233
Brugia malayi hypothetical protein 0.0048 0.0392 0.0922
Echinococcus granulosus caspase 2 0.01 0.1102 0.1233
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0027 0.0104 0.0651
Echinococcus multilocularis lysosomal alpha glucosidase 0.0329 0.4246 0.4751
Echinococcus multilocularis apoptotic protease activating factor 1 0.0048 0.0392 0.0438
Echinococcus granulosus peptidyl glycine alpha amidating monooxygenase 0.0274 0.349 0.3905
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0603 0.4433

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 100 uM Inhibition of human cytosolic carbonic anhydrase 2 by stopped flow CO2 hydration assay ChEMBL. 21402476
Ki (binding) = 300 uM Inhibition of human cytosolic carbonic anhydrase 1 by stopped flow CO2 hydration assay ChEMBL. 21402476

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

1 literature reference was collected for this gene.

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