Detailed information for compound 103769

Basic information

Technical information
  • TDR Targets ID: 103769
  • Name: 2,6-ditert-butyl-4-[(E)-(1,1-dioxo-2-propyl-1 ,2-thiazolidin-5-ylidene)methyl]phenol
  • MW: 379.557 | Formula: C21H33NO3S
  • H donors: 1 H acceptors: 3 LogP: 5.42 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCN1CC/C(=C\c2cc(c(c(c2)C(C)(C)C)O)C(C)(C)C)/S1(=O)=O
  • InChi: 1S/C21H33NO3S/c1-8-10-22-11-9-16(26(22,24)25)12-15-13-17(20(2,3)4)19(23)18(14-15)21(5,6)7/h12-14,23H,8-11H2,1-7H3/b16-12+
  • InChiKey: BEEZEJNZAJOLSO-FOWTUZBSSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2,6-ditert-butyl-4-[(E)-(1,1-diketo-2-propyl-1,2-thiazolidin-5-ylidene)methyl]phenol

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Cyclooxygenase 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
Trypanosoma brucei copper-transporting ATPase-like protein, putative 0.0021 0.0046 0.0124
Brugia malayi Bloom's syndrome protein homolog 0.0024 0.0066 0.0258
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0045 0.0113
Brugia malayi E1-E2 ATPase family protein 0.0021 0.0046 0.018
Loa Loa (eye worm) hypothetical protein 0.0191 0.1374 0.3141
Echinococcus granulosus bloom syndrome protein 0.0024 0.0066 0.0146
Loa Loa (eye worm) hypothetical protein 0.0058 0.0334 0.0763
Giardia lamblia Phospholipid-transporting ATPase IA, putative 0.0021 0.0046 0.0202
Trichomonas vaginalis CAMK family protein kinase 0.0047 0.0243 0.2886
Loa Loa (eye worm) hypothetical protein 0.0058 0.0334 0.0763
Echinococcus granulosus nervana 2 0.0453 0.3423 0.7822
Loa Loa (eye worm) animal heme peroxidase 0.0095 0.0624 0.1426
Schistosoma mansoni cation-transporting atpase worm 0.0021 0.0046 0.0106
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0058 0.0334 0.0758
Leishmania major GTP-binding protein, putative 0.0021 0.0045 0.0119
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0021 0.0045 0.0194
Loa Loa (eye worm) hypothetical protein 0.0058 0.0334 0.0763
Mycobacterium tuberculosis Cation transporter P-type ATPase a CtpA 0.0021 0.0046 0.0044
Brugia malayi hypothetical protein 0.0017 0.0011 0.0042
Echinococcus multilocularis geminin 0.0169 0.1197 0.2732
Toxoplasma gondii hypothetical protein 0.1295 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0235 0.0537
Brugia malayi hypothetical protein 0.0301 0.2229 0.8675
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0372 0.085
Trypanosoma cruzi calcium motive p-type ATPase, putative 0.0117 0.0796 0.2122
Loa Loa (eye worm) hypothetical protein 0.0095 0.0624 0.1426
Echinococcus multilocularis phospholipid transporting ATPase IA 0.0026 0.0085 0.0189
Echinococcus multilocularis phospholipid transporting ATPase IIB 0.0021 0.0046 0.0101
Schistosoma mansoni acetylcholinesterase 0.0058 0.0334 0.0763
Echinococcus multilocularis acetylcholinesterase 0.0344 0.2569 0.587
Brugia malayi Ets-domain containing protein 0.0072 0.0442 0.1722
Schistosoma mansoni BC026374 protein (S09 family) 0.0058 0.0334 0.0763
Loa Loa (eye worm) TAR-binding protein 0.0063 0.0372 0.085
Brugia malayi Ets-domain containing protein 0.0072 0.0442 0.1722
Schistosoma mansoni peroxidasin 0.0095 0.0624 0.1426
Echinococcus multilocularis cation transporting atpase worm 0.0021 0.0046 0.0101
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0061 0.0728
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0235 0.0532
Echinococcus granulosus tar DNA binding protein 0.0063 0.0372 0.0845
Schistosoma mansoni transmemberane protein 0.0575 0.4375 1
Loa Loa (eye worm) sodium potassium adenosine triphosphatase 0.0058 0.0333 0.0762
Schistosoma mansoni neuroligin 3 (S09 family) 0.0058 0.0334 0.0763
Echinococcus granulosus plasma membrane calcium transporting ATPase 0.0117 0.0796 0.1815
Brugia malayi Blistered cuticle protein 3 0.0095 0.0624 0.2429
Entamoeba histolytica Plasma membrane calcium-transporting ATPase, putative 0.0112 0.0757 0.8993
Onchocerca volvulus 0.0095 0.0624 0.1426
Schistosoma mansoni ATPase 0.0112 0.0757 0.1731
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0235 0.0532
Loa Loa (eye worm) hypothetical protein 0.0095 0.0624 0.1426
Entamoeba histolytica phospholipid-transporting P-type ATPase, putative 0.0026 0.0085 0.1007
Trichomonas vaginalis cation-transporting ATPase, putative 0.0112 0.0757 0.8993
Loa Loa (eye worm) hypothetical protein 0.0112 0.0757 0.1731
Loa Loa (eye worm) hypothetical protein 0.0095 0.0624 0.1426
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0058 0.0334 0.0763
Echinococcus multilocularis cation transporting ATPase 13A1 0.0021 0.0046 0.0101
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0235 0.0537
Trypanosoma cruzi polo-like protein kinase, putative 0.0094 0.0614 0.1635
Trichomonas vaginalis phospholipid-transporting ATPase, putative 0.0026 0.0085 0.1007
Loa Loa (eye worm) calcium-transporting ATPase sarcoplasmic/endoplasmic reticulum type 0.0075 0.0463 0.1057
Brugia malayi Animal haem peroxidase family protein 0.0095 0.0624 0.2429
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0016 0.0002 0.0002
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0045 0.0113
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0021 0.0045 0.0173
Trypanosoma brucei phospholipid-transporting ATPase 1-like protein, putative 0.0026 0.0085 0.0227
Onchocerca volvulus Peroxidasin homolog 0.0095 0.0624 0.1426
Loa Loa (eye worm) carboxylesterase 0.0058 0.0334 0.0763
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0.0002 0.0002
Schistosoma mansoni sodium / potassium ATPase beta chain 0.0453 0.3423 0.7823
Trypanosoma cruzi calcium-translocating P-type ATPase, putative 0.0058 0.0333 0.0885
Loa Loa (eye worm) carboxylesterase 0.0344 0.2569 0.5873
Trypanosoma cruzi P-type H+-ATPase, putative 0.0058 0.0333 0.0885
Schistosoma mansoni calcium-transporting atpase sarcoplasmic/endoplasmic reticulum type (calcium pump) 0.0117 0.0796 0.1819
Loa Loa (eye worm) hypothetical protein 0.0021 0.0046 0.0106
Loa Loa (eye worm) calcium ATPase 0.0065 0.0388 0.0888
Onchocerca volvulus 0.0301 0.2229 0.5095
Giardia lamblia Plasma membrane calcium-transporting ATPase 2 0.0106 0.0711 0.3104
Echinococcus granulosus cation transporting ATPase 13A3 0.0021 0.0046 0.0101
Plasmodium falciparum copper-transporting ATPase 0.0021 0.0046 0.0046
Wolbachia endosymbiont of Brugia malayi peptide deformylase 0.1295 1 0.5
Trichomonas vaginalis cation-transporting ATPase, putative 0.0026 0.0085 0.1007
Loa Loa (eye worm) hypothetical protein 0.0095 0.0624 0.1426
Loa Loa (eye worm) E1-E2 ATPase 0.0064 0.038 0.0868
Echinococcus granulosus carboxylesterase 5A 0.0344 0.2569 0.587
Echinococcus multilocularis Ca2+ transporting ATPase plasma membrane 0.0117 0.0796 0.1815
Echinococcus multilocularis phospholipid transporting atpase ih phospholipid transporting atpase if 0.0026 0.0085 0.0189
Echinococcus granulosus phospholipid transporting ATPase IF 0.0026 0.0085 0.0189
Trypanosoma cruzi cation-transporting ATPase, putative 0.0021 0.0046 0.0118
Toxoplasma gondii E1-E2 ATPase subfamily protein 0.0058 0.0333 0.0333
Entamoeba histolytica phospholipid-transporting P-type ATPase, putative 0.0026 0.0085 0.1007
Mycobacterium leprae PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE) 0.1295 1 1
Trypanosoma brucei vacuolar-type Ca2+-ATPase 2 0.0112 0.0757 0.2024
Loa Loa (eye worm) hypothetical protein 0.0095 0.0624 0.1426
Schistosoma mansoni sodium/potassium-dependent atpase beta subunit 0.0453 0.3423 0.7823
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0021 0.0045 0.0102
Loa Loa (eye worm) hypothetical protein 0.0344 0.2569 0.5873
Trypanosoma cruzi importin beta-1 subunit, putative 0.0023 0.0061 0.0158
Loa Loa (eye worm) hypothetical protein 0.0301 0.2229 0.5095
Entamoeba histolytica plasma membrane calcium ion-transporting ATPase, putative 0.0069 0.0418 0.4964
Entamoeba histolytica phospholipid-transporting ATPase Neo1, putative 0.0026 0.0085 0.1007
Loa Loa (eye worm) hypothetical protein 0.0095 0.0624 0.1426
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0076 0.0076
Brugia malayi Membrane calcium atpase protein 3 0.0117 0.0796 0.3098
Onchocerca volvulus Peroxidase homolog 0.0095 0.0624 0.1426
Trichomonas vaginalis CAMK family protein kinase 0.0047 0.0243 0.2886
Brugia malayi Animal haem peroxidase family protein 0.0095 0.0624 0.2429
Entamoeba histolytica phospholipid-transporting P-type ATPase, putative 0.0021 0.0046 0.055
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0094 0.0614 0.1403
Loa Loa (eye worm) hypothetical protein 0.0095 0.0624 0.1426
Trypanosoma brucei polo-like protein kinase 0.0094 0.0614 0.1641
Onchocerca volvulus 0.0058 0.0334 0.0763
Schistosoma mansoni hypothetical protein 0.0169 0.1197 0.2736
Plasmodium vivax importin-beta 2, putative 0.0029 0.0104 0.0104
Echinococcus multilocularis Tetracycline resistance leader peptide, TetL 0.0123 0.0842 0.1921
Trichomonas vaginalis ATPase, class VI, type 11C, putative 0.0021 0.0046 0.055
Trypanosoma cruzi Calcium ATPase SERCA-like 0.0112 0.0757 0.2019
Schistosoma mansoni plasma membrane calcium-transporting atpase 0.0117 0.0796 0.1819
Echinococcus granulosus cation transporting ATPase 13A1 0.0021 0.0046 0.0101
Echinococcus multilocularis calcium transporting ATPase type 2C member 0.0123 0.0842 0.1921
Giardia lamblia Plasma membrane calcium-transporting ATPase 2 0.0112 0.0757 0.3307
Trichomonas vaginalis phospholipid-transporting ATPase, putative 0.0026 0.0085 0.1007
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0104 0.0277
Entamoeba histolytica plasma membrane calcium-transporting ATPase 1, putative 0.0054 0.0304 0.3606
Brugia malayi Na,K-ATPase alpha subunit 0.0314 0.2337 0.9095
Leishmania major copper-transporting ATPase-like protein, putative 0.0021 0.0046 0.0124
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0344 0.2569 0.5873
Entamoeba histolytica Plasma membrane calcium-transporting ATPase, putative 0.0112 0.0757 0.8993
Echinococcus multilocularis neuroligin 0.0058 0.0334 0.0758
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0058 0.0334 0.3966
Loa Loa (eye worm) hypothetical protein 0.0575 0.4375 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0213 0.0486
Echinococcus multilocularis nervana 2 0.0453 0.3423 0.7822
Brugia malayi hypothetical protein 0.0058 0.0334 0.13
Brugia malayi calcium ATPase 0.0059 0.0342 0.1332
Toxoplasma gondii HEAT repeat-containing protein 0.0029 0.0104 0.0104
Mycobacterium ulcerans cation-transporter ATPase I CtpI 0.007 0.0424 0.038
Echinococcus multilocularis tar DNA binding protein 0.0063 0.0372 0.0845
Trypanosoma brucei cation-transporting ATPase, putative 0.0021 0.0046 0.0124
Echinococcus granulosus acetylcholinesterase 0.0344 0.2569 0.587
Loa Loa (eye worm) fli-1 protein 0.0219 0.1589 0.3631
Echinococcus granulosus sarco:endoplasmic reticulum calcium ATPase 0.0112 0.0757 0.1727
Echinococcus granulosus cation transporting atpase worm 0.0021 0.0046 0.0101
Brugia malayi Probable cation-transporting ATPase C10C6.6 in chromosome IV 0.0021 0.0046 0.018
Giardia lamblia Kinase, PLK 0.0094 0.0614 0.268
Entamoeba histolytica serine/threonine protein kinase, putative 0.0094 0.0614 0.7289
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0117 0.0796 0.945
Toxoplasma gondii calcium-translocating P-type ATPase, PMCA-type protein 0.0112 0.0757 0.0757
Echinococcus granulosus acetylcholinesterase 0.0344 0.2569 0.587
Trypanosoma cruzi P-type H+-ATPase, putative 0.0064 0.038 0.1009
Schistosoma mansoni na+/k+ atpase alpha subunit 0.0308 0.229 0.5235
Mycobacterium tuberculosis Carboxylesterase LipT 0.0058 0.0334 0.0332
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0453 0.3423 0.7822
Echinococcus multilocularis importin subunit beta 1 0.0029 0.0104 0.0232
Plasmodium vivax P-type ATPase4, putative 0.0123 0.0842 0.0842
Loa Loa (eye worm) animal heme peroxidase 0.0095 0.0624 0.1426
Leishmania major importin beta-1 subunit, putative 0.0023 0.0061 0.0164
Schistosoma mansoni ATPase 0.0112 0.0757 0.1731
Leishmania major vacuolar-type Ca2 -ATPase, putative 0.0112 0.0757 0.2024
Echinococcus multilocularis phospholipid transporting ATPase VA 0.0017 0.0011 0.0019
Trichomonas vaginalis ATPase, class I, type 8B, putative 0.0021 0.0046 0.055
Schistosoma mansoni kinase 0.0048 0.0253 0.0578
Brugia malayi RNA recognition motif domain containing protein 0.0063 0.0372 0.1448
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0372 0.085
Loa Loa (eye worm) hypothetical protein 0.012 0.0819 0.1872
Loa Loa (eye worm) hypothetical protein 0.0062 0.0361 0.0825
Mycobacterium tuberculosis Probable metal cation transporter ATPase P-type CtpE 0.0021 0.0046 0.0044
Loa Loa (eye worm) hypothetical protein 0.0058 0.0334 0.0763
Echinococcus granulosus BC026374 protein S09 family 0.0058 0.0334 0.0758
Toxoplasma gondii heavy metal translocating P-type ATPase subfamily protein 0.0021 0.0046 0.0046
Leishmania major vacuolar-type Ca2 -ATPase, putative 0.0112 0.0757 0.2024
Trichomonas vaginalis spcc417.12 protein, putative 0.0058 0.0334 0.3966
Brugia malayi Carboxylesterase family protein 0.0058 0.0334 0.13
Brugia malayi hypothetical protein 0.0025 0.0076 0.0294
Entamoeba histolytica phospholipid-transporting P-type ATPase, putative 0.0032 0.0131 0.1557
Trichomonas vaginalis cation-transporting ATPase fungi, putative 0.0112 0.0757 0.8993
Brugia malayi Calcium-transporting ATPase sarcoplasmic/endoplasmic reticulum type 0.0117 0.0796 0.3098
Brugia malayi Animal haem peroxidase family protein 0.0095 0.0624 0.2429
Leishmania major hypothetical protein, conserved 0.0025 0.0076 0.0202
Echinococcus granulosus GA binding protein alpha chain 0.0072 0.0442 0.1007
Trypanosoma cruzi copper-transporting ATPase-like protein, putative 0.0021 0.0046 0.0118
Loa Loa (eye worm) hypothetical protein 0.0095 0.0624 0.1426
Trypanosoma cruzi copper-transporting ATPase-like protein, putative 0.0021 0.0046 0.0118
Schistosoma mansoni ets-related 0.0219 0.1589 0.3631
Loa Loa (eye worm) acetylcholinesterase 1 0.0344 0.2569 0.5873
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0372 0.085
Loa Loa (eye worm) hypothetical protein 0.0058 0.0333 0.0762
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.0614 0.7289
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0016 0.0004 0.0004
Brugia malayi Carboxylesterase family protein 0.0058 0.0334 0.13
Brugia malayi hypothetical protein 0.0095 0.0624 0.2429
Schistosoma mansoni ran 0.0021 0.0045 0.0102
Loa Loa (eye worm) animal heme peroxidase 0.0095 0.0624 0.1426
Onchocerca volvulus 0.0058 0.0334 0.0763
Trypanosoma cruzi phospholipid-transporting ATPase 1-like protein, putative 0.0026 0.0085 0.022
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0061 0.0728
Trichomonas vaginalis cation-transporting ATPase, putative 0.0112 0.0757 0.8993
Trichomonas vaginalis cation-transporting ATPase, putative 0.0112 0.0757 0.8993
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0235 0.0532
Onchocerca volvulus Peroxidasin homolog 0.0095 0.0624 0.1426
Loa Loa (eye worm) hypothetical protein 0.0344 0.2569 0.5873
Mycobacterium tuberculosis Probable cation transporter P-type ATPase D CtpD 0.0021 0.0046 0.0044
Loa Loa (eye worm) blistered cuticle protein 3 0.0095 0.0624 0.1426
Schistosoma mansoni phospholipid-transporting atpase 0.0026 0.0085 0.0194
Echinococcus granulosus copper transporting ATPase 1 0.0021 0.0046 0.0101
Trichomonas vaginalis ATPase, class VI, type 11C, putative 0.0026 0.0085 0.1007
Trypanosoma cruzi calcium-transporting ATPase, putative 0.0075 0.0463 0.1231
Loa Loa (eye worm) hypothetical protein 0.0025 0.0076 0.0173
Echinococcus granulosus phospholipid transporting ATPase IIB 0.0021 0.0046 0.0101
Schistosoma mansoni peroxidasin 0.0095 0.0624 0.1426
Loa Loa (eye worm) RNA binding protein 0.0063 0.0372 0.085
Schistosoma mansoni cation-transporting atpase worm 0.0021 0.0046 0.0106
Schistosoma mansoni gabp alpha 0.0072 0.0442 0.1011
Echinococcus multilocularis Na+:K+ ATPase alpha subunit 0.0308 0.229 0.5233
Schistosoma mansoni calcium-transporting atpase sarcoplasmic/endoplasmic reticulum type (calcium pump) 0.0117 0.0796 0.1819
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0076 0.0076
Schistosoma mansoni Na+/K+ transporting ATPase subunit alpha 0.0314 0.2337 0.5341
Trichomonas vaginalis phospholipid-transporting ATPase, putative 0.0026 0.0085 0.1007
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.0614 0.7289
Echinococcus multilocularis copper transporting ATPase 1 0.0021 0.0046 0.0101
Giardia lamblia Phospholipid-transporting ATPase IIB, putative 0.0026 0.0085 0.037
Entamoeba histolytica Plasma membrane calcium-transporting ATPase, putative 0.0112 0.0757 0.8993
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0112 0.0757 0.8993
Schistosoma mansoni hypothetical protein 0.0306 0.2272 0.5194
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0575 0.4375 1
Echinococcus granulosus para nitrobenzyl esterase 0.0058 0.0334 0.0758
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.0494 0.3741 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0076 0.0196
Echinococcus granulosus plasma membrane calcium transporting ATPase 2 0.0123 0.0842 0.1921
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0076 0.0076
Brugia malayi TAR-binding protein 0.0063 0.0372 0.1448
Brugia malayi Carboxylesterase family protein 0.0344 0.2569 1
Trypanosoma cruzi Peptide deformylase 2, putative 0.0494 0.3741 1
Onchocerca volvulus Serine\/threonine kinase homolog 0.0094 0.0614 0.1403
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0058 0.0334 0.0332
Schistosoma mansoni type V p-type atpase isoform 0.0021 0.0046 0.0106
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0016 0.0002 0.0005
Trypanosoma brucei phospholipid-translocating ATPase, putative 0.0026 0.0085 0.0227
Schistosoma mansoni calcium-transporting atpase 2 (atpase 2) 0.0117 0.0796 0.1819
Trypanosoma cruzi phospholipid-translocating ATPase, putative 0.0026 0.0085 0.022
Brugia malayi calcium ATPase 0.0058 0.0333 0.1297
Trypanosoma cruzi plasma-membrane proton-efflux P-type ATPase, putative 0.0058 0.0333 0.0885
Toxoplasma gondii haloacid dehalogenase family hydrolase domain-containing protein 0.0021 0.0046 0.0046
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0016 0.0002 0.0006
Trypanosoma brucei Peptide deformylase 2 0.0494 0.3741 1
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0306 0.2272 0.5194
Plasmodium falciparum phospholipid-transporting ATPase, putative 0.0026 0.0085 0.0085
Echinococcus multilocularis carboxylesterase 5A 0.0344 0.2569 0.587
Onchocerca volvulus Dual oxidase homolog 0.0095 0.0624 0.1426
Trypanosoma cruzi polo-like protein kinase, putative 0.0094 0.0614 0.1635
Echinococcus multilocularis calcium transporting atpase 0.0117 0.0796 0.1815
Echinococcus multilocularis acetylcholinesterase 0.0344 0.2569 0.587
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.0614 0.7289
Entamoeba histolytica phospholipid-transporting P-type ATPase, putative 0.0026 0.0085 0.1007
Loa Loa (eye worm) sodium/potassium-transporting ATPase subunit alpha 0.0272 0.2003 0.458
Leishmania major P-type H -ATPase, putative 0.0064 0.038 0.1014
Loa Loa (eye worm) hypothetical protein 0.0058 0.0334 0.0763
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.0614 0.7289
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0112 0.0757 0.8993
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.0614 0.7289
Treponema pallidum polypeptide deformylase (def) 0.1295 1 1
Trichomonas vaginalis phospholipid-transporting ATPase, putative 0.0021 0.0046 0.055
Toxoplasma gondii P-type ATPase PMA1 0.0064 0.038 0.038
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0235 0.0537
Echinococcus multilocularis cation transporting ATPase 13A3 0.0021 0.0046 0.0101
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0575 0.4375 1
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.0494 0.3741 1
Loa Loa (eye worm) isocitrate dehydrogenase 0.0016 0.0002 0.0005
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0.0002 0.0002
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0094 0.0614 0.1398
Toxoplasma gondii plasma membrane-type Ca(2+)-ATPase A1 PMCAA1 0.0117 0.0796 0.0796
Brugia malayi potential phospholipid-transporting ATPase IIB, putative 0.0021 0.0046 0.018
Echinococcus multilocularis peroxidasin 0.0095 0.0624 0.1422
Loa Loa (eye worm) RecQ helicase 0.0024 0.0066 0.0151
Schistosoma mansoni sodium/potassium-dependent atpase beta subunit 0.0575 0.4375 1
Echinococcus multilocularis phospholipid transporting ATPase IF 0.0026 0.0085 0.0189
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0021 0.0045 0.0045
Entamoeba histolytica phospholipid-transporting ATPase IA, putative 0.0026 0.0085 0.1007
Echinococcus granulosus Na:K ATPase alpha subunit 0.0308 0.229 0.5233
Loa Loa (eye worm) phospholipid-transporting ATPase ID 0.0026 0.0085 0.0194
Brugia malayi Carboxylesterase family protein 0.0344 0.2569 1
Plasmodium falciparum calcium-transporting ATPase 0.0117 0.0796 0.0796
Trypanosoma brucei Polypeptide deformylase 1 0.0494 0.3741 1
Loa Loa (eye worm) hypothetical protein 0.0058 0.0334 0.0763
Loa Loa (eye worm) hypothetical protein 0.0095 0.0624 0.1426
Leishmania major P-type H -ATPase, putative 0.0064 0.038 0.1014
Schistosoma mansoni hypothetical protein 0.0169 0.1197 0.2736
Loa Loa (eye worm) hypothetical protein 0.0095 0.0624 0.1426
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0058 0.0334 0.0763
Plasmodium falciparum peptide deformylase 0.1295 1 1
Toxoplasma gondii phospholipid-translocating P-type ATPase, flippase subfamily protein 0.0017 0.0011 0.0011
Trypanosoma cruzi phospholipid-transporting ATPase 1-like protein, putative 0.0026 0.0085 0.022
Onchocerca volvulus 0.0453 0.3423 0.7823
Echinococcus granulosus peroxidasin 0.0095 0.0624 0.1422
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.0614 0.7289
Onchocerca volvulus 0.0058 0.0334 0.0763
Brugia malayi Sodium/potassium-transporting ATPase alpha-3 chain, putative 0.0058 0.0333 0.1297
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0072 0.0442 0.1011
Trichomonas vaginalis cation-transporting ATPase, putative 0.0026 0.0085 0.1007
Loa Loa (eye worm) hypothetical protein 0.0213 0.1541 0.3522
Echinococcus multilocularis sodium:potassium transporting ATPase subunit 0.0575 0.4375 1
Trypanosoma cruzi Peptide deformylase 2, putative 0.0494 0.3741 1
Loa Loa (eye worm) hypothetical protein 0.0314 0.2337 0.5341
Schistosoma mansoni SET domain protein 0.0033 0.0134 0.0307
Echinococcus granulosus nervana 2 0.0575 0.4375 1
Trypanosoma brucei P-type H+-ATPase, putative 0.0064 0.038 0.1014
Brugia malayi Isocitrate dehydrogenase 0.0016 0.0002 0.0009
Onchocerca volvulus 0.0095 0.0624 0.1426
Trichomonas vaginalis ran, putative 0.0021 0.0045 0.0529
Plasmodium vivax calcium-transporting ATPase, putative 0.0123 0.0842 0.0842
Trichomonas vaginalis phospholipid-transporting ATPase, putative 0.0026 0.0085 0.1007
Echinococcus granulosus GTP binding nuclear protein Ran 0.0021 0.0045 0.0096
Giardia lamblia Phospholipid-transporting ATPase IIB, putative 0.0026 0.0085 0.037
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0063 0.0372 0.085
Echinococcus granulosus importin subunit beta 1 0.0029 0.0104 0.0232
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0235 0.0532
Schistosoma mansoni blooms syndrome DNA helicase 0.0019 0.0027 0.0061
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0453 0.3423 0.7822
Plasmodium vivax copper-transporting ATPase, putative 0.0021 0.0046 0.0046
Leishmania major aminophospholipid translocase, putative 0.0026 0.0085 0.0227
Loa Loa (eye worm) hypothetical protein 0.0021 0.0046 0.0106
Schistosoma mansoni atpase class VI type 11c 0.0017 0.0011 0.0024
Echinococcus multilocularis BC026374 protein (S09 family) 0.0058 0.0334 0.0758
Brugia malayi phospholipid-translocating P-type ATPase, flippase family protein 0.0026 0.0085 0.033
Leishmania major calcium motive p-type ATPase, putative 0.0117 0.0796 0.2127
Onchocerca volvulus 0.0095 0.0624 0.1426
Mycobacterium ulcerans carboxylesterase, LipT 0.0058 0.0334 0.0289
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0002 0.0006
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0123 0.0842 1
Trypanosoma cruzi calcium motive p-type ATPase, putative 0.0117 0.0796 0.2122
Trypanosoma brucei vacuolar-type Ca2+-ATPase 1 0.0112 0.0757 0.2024
Loa Loa (eye worm) hypothetical protein 0.0575 0.4375 1
Schistosoma mansoni serine/threonine protein kinase 0.0094 0.0614 0.1403
Mycobacterium tuberculosis Probable metal cation transporter P-type ATPase CtpV 0.0021 0.0046 0.0044
Plasmodium falciparum importin beta, putative 0.0029 0.0104 0.0104
Schistosoma mansoni type V p-type atpase isoform 0.0026 0.0085 0.0194
Trypanosoma cruzi plasma membrane Ca2+ ATPase 0.0112 0.0757 0.2019
Schistosoma mansoni cation-transporting atpase 13a1 (G-box binding protein) 0.0021 0.0046 0.0106
Echinococcus multilocularis histone lysine N methyltransferase NSD3 0.0033 0.0134 0.0302
Trichomonas vaginalis cation-transporting ATPase, putative 0.0021 0.0046 0.055
Plasmodium vivax peptide deformylase, putative 0.1295 1 1
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0016 0.0002 0.0002
Loa Loa (eye worm) hypothetical protein 0.0058 0.0334 0.0763
Echinococcus multilocularis snurportin 1 0.0306 0.2272 0.5192
Schistosoma mansoni copper ABC transporter ATPase 0.0021 0.0046 0.0106
Mycobacterium leprae PROBABLE CATION-TRANSPORTER ATPASE I CTPI 0.0261 0.1919 0.1881
Brugia malayi Fli-1 protein 0.0219 0.1589 0.6183
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0021 0.0045 0.0045
Mycobacterium tuberculosis Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase) 0.1295 1 1
Echinococcus granulosus phospholipid transporting atpase ih 0.0026 0.0085 0.0189
Mycobacterium ulcerans metal cation-transporting p-type ATPase F, CtpF 0.0123 0.0842 0.08
Toxoplasma gondii sarco/endoplasmic reticulum Ca2+-ATPase 0.0123 0.0842 0.0842
Trichomonas vaginalis importin beta-1, putative 0.0023 0.0061 0.0728
Leishmania major phospholipid-translocating P-type ATPase (flippase), putative 0.0026 0.0085 0.0227
Schistosoma mansoni plasma membrane calcium-transporting atpase 0.0117 0.0796 0.1819
Echinococcus granulosus neuroligin 0.0058 0.0334 0.0758
Loa Loa (eye worm) hypothetical protein 0.0095 0.0624 0.1426
Onchocerca volvulus Chorion peroxidase homolog 0.0095 0.0624 0.1426
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0235 0.0915
Trypanosoma brucei calcium-transporting ATPase, putative 0.0026 0.0085 0.0227
Brugia malayi Carboxylesterase family protein 0.0058 0.0334 0.13
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0021 0.0045 0.0096
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.0614 0.7289
Trypanosoma cruzi calcium-translocating P-type ATPase, putative 0.0048 0.0257 0.0682
Brugia malayi RNA, U transporter 1 0.0082 0.0517 0.2012
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0575 0.4375 1
Leishmania major calcium-transporting ATPase, putative 0.0117 0.0796 0.2127
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0002 0.0006
Entamoeba histolytica cation-transporting P-typeATPase, putative 0.0021 0.0046 0.055
Echinococcus granulosus nervana 2 0.0575 0.4375 1
Entamoeba histolytica calcium-transporting P-type ATPase, putative 0.0123 0.0842 1
Entamoeba histolytica Ran family GTPase 0.0021 0.0045 0.0529
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0021 0.0045 0.0119
Brugia malayi Sodium/potassium-transporting ATPase alpha chain, putative 0.0272 0.2003 0.7798
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0104 0.0277
Leishmania major polypeptide deformylase-like protein, putative 0.0494 0.3741 1
Schistosoma mansoni gliotactin 0.0058 0.0334 0.0763
Loa Loa (eye worm) carboxylesterase 0.0058 0.0334 0.0763
Loa Loa (eye worm) hypothetical protein 0.0043 0.0213 0.0486
Schistosoma mansoni sodium/potassium-dependent atpase beta subunit 0.0575 0.4375 1
Echinococcus multilocularis para nitrobenzyl esterase 0.0058 0.0334 0.0758
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0112 0.0757 0.8993
Leishmania major calcium-translocating P-type ATPase 0.0112 0.0757 0.2024
Brugia malayi RNA binding protein 0.0063 0.0372 0.1448
Brugia malayi Importin beta-1 subunit 0.0029 0.0104 0.0404
Trypanosoma brucei calcium-transporting ATPase, putative 0.0075 0.0463 0.1236
Schistosoma mansoni phospholipid-transporting atpase 0.0026 0.0085 0.0194
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0021 0.0045 0.0045
Echinococcus granulosus snurportin 1 0.0306 0.2272 0.5192
Plasmodium vivax cation transporting ATPase, putative 0.0021 0.0046 0.0046
Trichomonas vaginalis DNA helicase recq, putative 0.0024 0.0066 0.0786
Loa Loa (eye worm) hypothetical protein 0.0075 0.0463 0.1057
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0016 0.0006 0.0006
Trypanosoma brucei phospholipid-translocating P-type ATPase (flippase), putative 0.0026 0.0085 0.0227
Mycobacterium tuberculosis Possible metal cation transporting P-type ATPase CtpH 0.007 0.0424 0.0422
Brugia malayi isocitrate dehydrogenase 0.0016 0.0002 0.0009
Echinococcus granulosus calcium transporting atpase 0.0117 0.0796 0.1815
Trichomonas vaginalis DNA helicase recq1, putative 0.0024 0.0066 0.0786
Brugia malayi E1-E2 ATPase family protein 0.0075 0.0464 0.1807
Brugia malayi Animal haem peroxidase family protein 0.0095 0.0624 0.2429
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0058 0.0334 0.0758
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0235 0.0537
Echinococcus granulosus calcium transporting ATPase type 2C member 0.0123 0.0842 0.1921
Trichomonas vaginalis phospholipid-transporting ATPase, putative 0.0026 0.0085 0.1007
Loa Loa (eye worm) hypothetical protein 0.0029 0.0104 0.0237
Schistosoma mansoni ran 0.0021 0.0045 0.0102
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0076 0.0202
Brugia malayi Animal haem peroxidase family protein 0.0095 0.0624 0.2429
Entamoeba histolytica phospholipid-transporting P-type ATPase, putative 0.0026 0.0085 0.1007
Loa Loa (eye worm) animal heme peroxidase 0.0095 0.0624 0.1426
Brugia malayi Probable calcium-transporting ATPase KIAA0703 0.0075 0.0463 0.1801
Brugia malayi serine/threonine-protein kinase plk-2 0.0094 0.0614 0.2389
Trypanosoma brucei calcium motive p-type ATPase, putative 0.0117 0.0796 0.2127
Echinococcus multilocularis nervana 2 0.0575 0.4375 1
Entamoeba histolytica hypothetical protein 0.0023 0.0061 0.0728
Toxoplasma gondii P-type ATPase4, putative 0.0123 0.0842 0.0842
Leishmania major P-type ATPase, putative 0.0117 0.0796 0.2127
Echinococcus multilocularis plasma membrane calcium transporting ATPase 0.0117 0.0796 0.1815
Leishmania major proton motive ATPase, putative 0.0021 0.0046 0.0124
Trypanosoma cruzi plasma membrane Ca2+ ATPase 0.0112 0.0757 0.2019
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0021 0.0044 0.0044
Echinococcus granulosus Ca2 transporting ATPase plasma membrane 0.0117 0.0796 0.1815
Onchocerca volvulus 0.0058 0.0334 0.0763
Giardia lamblia Copper-transporting P-type ATPase 0.0021 0.0046 0.0202
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0575 0.4375 1
Loa Loa (eye worm) Na,K-ATPase alpha subunit 0.0314 0.2337 0.5341
Mycobacterium ulcerans peptide deformylase 0.1295 1 1
Echinococcus multilocularis GA binding protein alpha chain 0.0072 0.0442 0.1007
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0076 0.0196
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0058 0.0334 0.0332
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0372 0.085
Echinococcus multilocularis nervana 2 0.0575 0.4375 1
Loa Loa (eye worm) hypothetical protein 0.024 0.1752 0.4005
Plasmodium falciparum non-SERCA-type Ca2+ -transporting P-ATPase 0.0123 0.0842 0.0842
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0058 0.0334 0.0763
Echinococcus multilocularis sarco:endoplasmic reticulum calcium ATPase 0.0112 0.0757 0.1727
Echinococcus multilocularis nervana 2 0.0453 0.3423 0.7822
Mycobacterium ulcerans metal cation transporter p-type ATPase a 0.0304 0.2252 0.2216
Echinococcus multilocularis bloom syndrome protein 0.0024 0.0066 0.0146
Entamoeba histolytica phospholipid-transporting P-type ATPase, putative 0.0021 0.0046 0.055
Loa Loa (eye worm) hypothetical protein 0.0095 0.0624 0.1426
Trypanosoma brucei vacuolar-type Ca2+-ATPase, putative 0.0112 0.0757 0.2024
Onchocerca volvulus 0.0575 0.4375 1
Brugia malayi Carboxylesterase family protein 0.0058 0.0334 0.13
Loa Loa (eye worm) transbilayer Amphipath transporters family member 0.0026 0.0085 0.0194
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0112 0.0757 0.8993
Trypanosoma brucei calcium-translocating P-type ATPase 0.0117 0.0796 0.2127
Schistosoma mansoni importin beta-1 0.0029 0.0104 0.0237
Schistosoma mansoni cation-transporting ATPase 0.0021 0.0046 0.0106
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0076 0.0076
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0372 0.085
Trichomonas vaginalis cation-transporting ATPase, putative 0.0026 0.0085 0.1007
Trypanosoma brucei P-type H+-ATPase, putative 0.0064 0.038 0.1014
Brugia malayi haloacid dehalogenase-like hydrolase family protein 0.0065 0.0388 0.1512
Echinococcus granulosus sodium:potassium transporting ATPase subunit 0.0575 0.4375 1
Echinococcus granulosus geminin 0.0169 0.1197 0.2732
Onchocerca volvulus 0.0058 0.0334 0.0763
Brugia malayi hypothetical protein 0.0016 0.0006 0.0024
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0094 0.0614 0.1641
Trichomonas vaginalis ATPase, class VI, type 11C, putative 0.0026 0.0085 0.1007
Loa Loa (eye worm) hypothetical protein 0.0095 0.0624 0.1426
Plasmodium vivax phospholipid-transporting ATPase, putative 0.0026 0.0085 0.0085
Onchocerca volvulus 0.0304 0.2252 0.5147
Trypanosoma cruzi P-type H+-ATPase, putative 0.0064 0.038 0.1009
Echinococcus granulosus histone lysine N methyltransferase NSD3 0.0033 0.0134 0.0302
Entamoeba histolytica plasma membrane calcium ion-transporting ATPase, putative 0.0065 0.0388 0.4613
Echinococcus granulosus phospholipid transporting ATPase IA 0.0026 0.0085 0.0189
Brugia malayi Peroxidasin 0.0095 0.0624 0.2429
Echinococcus granulosus nervana 2 0.0453 0.3423 0.7822
Leishmania major phospholipid-transporting ATPase 1-like protein 0.0026 0.0085 0.0227
Trichomonas vaginalis cation-transporting ATPase, putative 0.0064 0.038 0.4507
Echinococcus granulosus phospholipid transporting ATPase VA 0.0017 0.0011 0.0019
Onchocerca volvulus Peroxidase homolog 0.0095 0.0624 0.1426
Giardia lamblia Potassium-transporting ATPase alpha chain 1 0.0308 0.229 1
Loa Loa (eye worm) hypothetical protein 0.0095 0.0624 0.1426
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0094 0.0614 0.1398

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 0.013 uM In vitro inhibitory effect on production of prostaglandin E2 (PGE2) in rat synovial cells. ChEMBL. 10821716
IC50 (functional) = 0.013 uM In vitro inhibitory effect on production of prostaglandin E2 (PGE2) in rat synovial cells. ChEMBL. 10821716
IC50 (functional) = 1.9 uM In vitro effect on production of calcium ionophore (A23187) -induced Leukotriene B4 (LTB4) in rat peritoneal cells ChEMBL. 10821716
IC50 (functional) = 19 uM In vitro effect on production of lipopolysaccharide (LPS) -induced IL-1beta in human THP-1 cells ChEMBL. 10821716
IC50 (functional) = 19 uM In vitro effect on production of lipopolysaccharide (LPS) -induced IL-1beta in human THP-1 cells ChEMBL. 10821716
Inhibition (functional) = 0.3 % Percent inhibition of carrageenin-induced footpad edema at 30 mg/kg po ChEMBL. 10821716
Inhibition (functional) = 11.4 % Percent inhibition of adjuvant-induced arthritis at 10 mg/kg po ChEMBL. 10821716
ND (functional) 0 Dose required for 30% inhibition of carrageenin-induced edema; no data ChEMBL. 10821716
ND (functional) 0 Dose required for 30% inhibition of adjuvant-induced arthritis; no data ChEMBL. 10821716

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 10821716

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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