Detailed information for compound 1280502

Basic information

Technical information
  • TDR Targets ID: 1280502
  • Name: methyl 2-[2-(dimethylsulfamoyl)-4,5-dimethoxy phenyl]acetate
  • MW: 317.358 | Formula: C13H19NO6S
  • H donors: 0 H acceptors: 3 LogP: 0.8 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)Cc1cc(OC)c(cc1S(=O)(=O)N(C)C)OC
  • InChi: 1S/C13H19NO6S/c1-14(2)21(16,17)12-8-11(19-4)10(18-3)6-9(12)7-13(15)20-5/h6,8H,7H2,1-5H3
  • InChiKey: ZCUPPGJWZBGTLP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • methyl 2-[2-(dimethylsulfamoyl)-4,5-dimethoxy-phenyl]acetate
  • 2-[2-(dimethylsulfamoyl)-4,5-dimethoxyphenyl]acetic acid methyl ester
  • 2-[2-(dimethylsulfamoyl)-4,5-dimethoxy-phenyl]acetic acid methyl ester
  • methyl 2-[2-(dimethylsulfamoyl)-4,5-dimethoxy-phenyl]ethanoate
  • 2P-519S
  • MLS000755288
  • ZINC04091900
  • methyl 2-{2-[(dimethylamino)sulfonyl]-4,5-dimethoxyphenyl}acetate
  • SMR000338153
  • Oprea1_807214

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No 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
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi histone deacetylase 1, putative 0.0239 0.419 0.6295
Toxoplasma gondii flagellar/basal body protein 0.0059 0.0736 0.1628
Echinococcus multilocularis histone deacetylase 6 0.0256 0.4523 0.4882
Trichomonas vaginalis histone deacetylase, putative 0.0239 0.419 1
Toxoplasma gondii histone deacetylase HDAC4 0.0103 0.1576 0.3485
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0038 0.0335 0.0504
Plasmodium vivax histone deacetylase, putative 0.0103 0.1576 0.3485
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0806 0.1212
Brugia malayi Zinc carboxypeptidase family protein 0.0059 0.0736 0.1106
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0038 0.0335 0.0742
Trypanosoma cruzi cruzipain precursor, putative 0.0062 0.0806 0.1212
Trypanosoma cruzi cysteine peptidase, putative 0.0062 0.0806 0.1212
Onchocerca volvulus 0.0059 0.0736 0.0768
Entamoeba histolytica histone deacetylase, putative 0.0239 0.419 1
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0038 0.0335 0.0504
Trichomonas vaginalis histone deacetylase, putative 0.0239 0.419 1
Schistosoma mansoni ap endonuclease 0.0038 0.0335 0.0362
Schistosoma mansoni single-minded 0.0048 0.052 0.0561
Schistosoma mansoni histone deacetylase 0.0239 0.419 0.4523
Echinococcus granulosus cytosolic carboxypeptidase 1 0.0059 0.0736 0.0795
Echinococcus multilocularis Zinc carboxypeptidase family protein 0.0059 0.0736 0.0795
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0806 0.1212
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0806 0.1212
Echinococcus multilocularis snurportin 1 0.0297 0.5322 0.5744
Schistosoma mansoni ap endonuclease 0.0038 0.0335 0.0362
Onchocerca volvulus Cytosolic carboxypeptidase 1 homolog 0.0059 0.0736 0.0768
Mycobacterium ulcerans short chain dehydrogenase 0.0541 1 1
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.004 0.0096
Loa Loa (eye worm) hypothetical protein 0.0284 0.5061 0.7602
Leishmania major histone deacetylase, putative 0.0239 0.419 0.6295
Echinococcus multilocularis histone deacetylase 7 0.0256 0.4523 0.4882
Trichomonas vaginalis ap endonuclease, putative 0.0038 0.0335 0.08
Onchocerca volvulus 0.0343 0.6191 1
Trypanosoma brucei C-8 sterol isomerase, putative 0.0367 0.6657 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0038 0.0335 0.0504
Trichomonas vaginalis Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase 0.0059 0.0736 0.1757
Giardia lamblia Nuclear ATP/GTP-binding protein 0.0059 0.0736 0.1757
Echinococcus multilocularis histone deacetylase 0.0256 0.4523 0.4882
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0806 0.1212
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0297 0.5322 0.7994
Schistosoma mansoni peptidase 0.0059 0.0736 0.0795
Trichomonas vaginalis Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase 0.0059 0.0736 0.1757
Schistosoma mansoni survival motor neuron protein 0.0048 0.053 0.0572
Loa Loa (eye worm) hypothetical protein 0.0153 0.2553 0.3835
Giardia lamblia Nuclear ATP/GTP-binding protein 0.0059 0.0736 0.1757
Echinococcus multilocularis histone deacetylase 6 0.0262 0.4641 0.5009
Brugia malayi PAS domain containing protein 0.0048 0.052 0.0781
Leishmania major histone deacetylase, putative 0.0256 0.4523 0.6795
Loa Loa (eye worm) zinc carboxypeptidase 0.0059 0.0736 0.1106
Loa Loa (eye worm) hypothetical protein 0.0059 0.0736 0.1106
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0038 0.0335 0.0504
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0806 0.1212
Onchocerca volvulus 0.0059 0.0736 0.0768
Brugia malayi RNA, U transporter 1 0.0079 0.1128 0.1695
Leishmania major zinc carboxypeptidase, putative,metallo-peptidase, Clan MC, Family M14 0.0059 0.0736 0.1106
Loa Loa (eye worm) cytochrome P450 family protein 0.0051 0.0586 0.088
Trypanosoma cruzi importin beta-1 subunit, putative 0.0023 0.004 0.006
Loa Loa (eye worm) hypothetical protein 0.0236 0.4134 0.621
Loa Loa (eye worm) zinc carboxypeptidase 0.0059 0.0736 0.1106
Echinococcus granulosus survival motor neuron protein 1 0.0236 0.4134 0.4462
Plasmodium falciparum histone deacetylase 1 0.0239 0.419 0.9264
Loa Loa (eye worm) MH2 domain-containing protein 0.0122 0.1951 0.293
Brugia malayi histone deacetylase 1 (HD1) 0.0239 0.419 0.6295
Schistosoma mansoni protease m14 carboxypeptidase 0.0059 0.0736 0.0795
Trypanosoma brucei histone deacetylase 1 0.0239 0.419 0.6295
Trichomonas vaginalis Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase 0.0059 0.0736 0.1757
Echinococcus granulosus cytosolic carboxypeptidase protein 5 0.0059 0.0736 0.0795
Schistosoma mansoni peptidase 0.0059 0.0736 0.0795
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0141 0.0212
Schistosoma mansoni metallocarboxypeptidase D peptidase unit 2 (M14 family) 0.0059 0.0736 0.0795
Loa Loa (eye worm) hypothetical protein 0.0103 0.1576 0.2368
Echinococcus multilocularis histone deacetylase 3 0.0239 0.419 0.4523
Onchocerca volvulus 0.0343 0.6191 1
Trypanosoma cruzi metallo-peptidase, Clan MC, Family M14, putative 0.0059 0.0736 0.1106
Toxoplasma gondii zinc carboxypeptidase superfamily protein 0.0059 0.0736 0.1628
Brugia malayi hypothetical protein 0.0146 0.2412 0.3623
Loa Loa (eye worm) hypoxia-induced factor 1 0.0147 0.2435 0.3658
Onchocerca volvulus 0.0343 0.6191 1
Schistosoma mansoni histone deacetylase hda2 0.0262 0.4641 0.5009
Trypanosoma cruzi histone deacetylase, putative 0.0103 0.1576 0.2368
Trypanosoma cruzi histone deacetylase, putative 0.0256 0.4523 0.6795
Plasmodium vivax histone deacetylase 2, putative 0.0256 0.4523 1
Loa Loa (eye worm) hypothetical protein 0.0059 0.0736 0.1106
Leishmania major cathepsin L-like protease 0.0062 0.0806 0.1212
Onchocerca volvulus Subfamily M14A unassigned peptidase homolog 0.0343 0.6191 1
Brugia malayi Zinc carboxypeptidase family protein 0.0059 0.0736 0.1106
Brugia malayi Zinc carboxypeptidase family protein 0.0059 0.0736 0.1106
Trypanosoma cruzi histone deacetylase, putative 0.0103 0.1576 0.2368
Trichomonas vaginalis Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase 0.0059 0.0736 0.1757
Loa Loa (eye worm) hypothetical protein 0.0059 0.0736 0.1106
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0806 0.1212
Schistosoma mansoni histone deacetylase 1 2 3 0.0103 0.1576 0.1702
Brugia malayi Histone deacetylase family protein 0.0256 0.4523 0.6795
Toxoplasma gondii HEAT repeat-containing protein 0.0028 0.0141 0.0313
Echinococcus multilocularis cytosolic carboxypeptidase protein 5 0.0059 0.0736 0.0795
Echinococcus granulosus subfamily M14A unassigned peptidase 0.0343 0.6191 0.6682
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0806 0.1212
Schistosoma mansoni hypothetical protein 0.0059 0.0736 0.0795
Onchocerca volvulus Histone deacetylase 10 homolog 0.0103 0.1576 0.219
Leishmania major zinc carboxypeptidase, putative,metallo-peptidase, Clan MC, Family M14 0.0059 0.0736 0.1106
Loa Loa (eye worm) hypothetical protein 0.0059 0.0736 0.1106
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0239 0.419 1
Toxoplasma gondii zinc carboxypeptidase superfamily protein 0.0059 0.0736 0.1628
Brugia malayi Zinc carboxypeptidase family protein 0.0059 0.0736 0.1106
Leishmania major histone deacetylase, putative 0.0256 0.4523 0.6795
Toxoplasma gondii zinc carboxypeptidase, putative 0.0059 0.0736 0.1628
Trypanosoma brucei Carboxypeptidase-like protein 0.0059 0.0736 0.1106
Echinococcus multilocularis histone deacetylase 1 0.0239 0.419 0.4523
Schistosoma mansoni aryl hydrocarbon receptor 0.0048 0.052 0.0561
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0038 0.0335 0.0362
Loa Loa (eye worm) hypothetical protein 0.0059 0.0736 0.1106
Brugia malayi MH2 domain containing protein 0.0122 0.1951 0.293
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0038 0.0335 0.08
Loa Loa (eye worm) hypothetical protein 0.0146 0.2412 0.3623
Toxoplasma gondii histone deacetylase HDAC1 0.0256 0.4523 1
Giardia lamblia Nuclear ATP/GTP-binding protein 0.0059 0.0736 0.1757
Onchocerca volvulus Carboxypeptidase D homolog 0.0059 0.0736 0.0768
Loa Loa (eye worm) histone deacetylase 11 0.0103 0.1576 0.2368
Trypanosoma cruzi histone deacetylase, putative 0.0256 0.4523 0.6795
Toxoplasma gondii histone deacetylase HDAC5 0.0103 0.1576 0.3485
Trichomonas vaginalis histone deacetylase, putative 0.0239 0.419 1
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.004 0.0096
Trichomonas vaginalis Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase 0.0059 0.0736 0.1757
Brugia malayi histone deacetylase 3 (HD3) 0.0239 0.419 0.6295
Trichomonas vaginalis histone deacetylase, putative 0.0239 0.419 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0141 0.0212
Echinococcus multilocularis histone deacetylase 8 0.0103 0.1576 0.1702
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0048 0.053 0.0795
Trichomonas vaginalis Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase 0.0059 0.0736 0.1757
Trypanosoma brucei metallo-peptidase, Clan MC, Family M14, putative 0.0059 0.0736 0.1106
Schistosoma mansoni peptidase 0.0059 0.0736 0.0795
Schistosoma mansoni family M14 non-peptidase homologue (M14 family) 0.0059 0.0736 0.0795
Onchocerca volvulus 0.0146 0.2412 0.3604
Trypanosoma brucei histone deacetylase 3 0.0256 0.4523 0.6795
Brugia malayi Carboxypeptidase A2 precursor 0.0059 0.0736 0.1106
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0038 0.0335 0.0742
Echinococcus granulosus histone deacetylase 6 0.0256 0.4523 0.4882
Echinococcus granulosus histone deacetylase 8 0.0103 0.1576 0.1702
Schistosoma mansoni importin beta-1 0.0028 0.0141 0.0153
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0038 0.0335 0.0362
Loa Loa (eye worm) histone deacetylase 1 0.0239 0.419 0.6295
Plasmodium vivax histone deacetylase 1, putative 0.0239 0.419 0.9264
Schistosoma mansoni histone deacetylase 0.0239 0.419 0.4523
Leishmania major cathepsin L-like protease 0.0062 0.0806 0.1212
Leishmania major zinc carboxypeptidase, putative,metallo-peptidase, Clan MC, Family M14 0.0059 0.0736 0.1106
Brugia malayi Importin beta-1 subunit 0.0028 0.0141 0.0212
Treponema pallidum exodeoxyribonuclease (exoA) 0.0038 0.0335 0.5
Brugia malayi ERG2 and Sigma1 receptor like protein 0.0367 0.6657 1
Schistosoma mansoni histone deacetylase 4 5 0.0256 0.4523 0.4882
Schistosoma mansoni hypothetical protein 0.0297 0.5322 0.5744
Onchocerca volvulus 0.0048 0.053 0.0418
Trypanosoma cruzi metallo-peptidase, Clan MC, Family M14 0.0059 0.0736 0.1106
Echinococcus granulosus histone deacetylase 0.0256 0.4523 0.4882
Echinococcus granulosus histone deacetylase 1 0.0239 0.419 0.4523
Brugia malayi Histone deacetylase 1 0.0239 0.419 0.6295
Loa Loa (eye worm) zinc carboxypeptidase 0.0059 0.0736 0.1106
Echinococcus multilocularis histone deacetylase 6 0.0256 0.4523 0.4882
Echinococcus granulosus snurportin 1 0.0297 0.5322 0.5744
Brugia malayi exodeoxyribonuclease III family protein 0.0038 0.0335 0.0504
Echinococcus multilocularis 0.0059 0.0736 0.0795
Toxoplasma gondii histone deacetylase HDAC2 0.0239 0.419 0.9264
Brugia malayi bHLH-PAS transcription factor 0.0035 0.0282 0.0424
Loa Loa (eye worm) zinc carboxypeptidase 0.0059 0.0736 0.1106
Trypanosoma brucei histone deacetylase, putative 0.0256 0.4523 0.6795
Loa Loa (eye worm) histone deacetylase 3 0.0239 0.419 0.6295
Trypanosoma brucei metallo-peptidase, Clan MC, Family M14, putative 0.0059 0.0736 0.1106
Loa Loa (eye worm) hypothetical protein 0.0188 0.321 0.4822
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0038 0.0335 0.08
Leishmania major cathepsin L-like protease 0.0062 0.0806 0.1212
Brugia malayi Zinc carboxypeptidase family protein 0.0059 0.0736 0.1106
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0806 0.1212
Trypanosoma cruzi zinc carboxypeptidase, putative 0.0059 0.0736 0.1106
Entamoeba histolytica hypothetical protein 0.0023 0.004 0.0096
Plasmodium vivax hypothetical protein, conserved 0.0059 0.0736 0.1628
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0038 0.0335 0.5
Echinococcus granulosus importin subunit beta 1 0.0028 0.0141 0.0153
Loa Loa (eye worm) hypothetical protein 0.0059 0.0736 0.1106
Echinococcus multilocularis subfamily M14A unassigned peptidase 0.0343 0.6191 0.6682
Plasmodium falciparum importin beta, putative 0.0028 0.0141 0.0313
Echinococcus multilocularis importin subunit beta 1 0.0028 0.0141 0.0153
Leishmania major C-8 sterol isomerase-like protein 0.0367 0.6657 1
Loa Loa (eye worm) transcription factor SMAD2 0.0122 0.1951 0.293
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0806 0.1212
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0057 0.0702 0.1055
Trichomonas vaginalis histone deacetylase, putative 0.0239 0.419 1
Schistosoma mansoni hypothetical protein 0.0503 0.9265 1
Trichomonas vaginalis importin beta-1, putative 0.0023 0.004 0.0096
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0367 0.6657 1
Echinococcus multilocularis geminin 0.0503 0.9265 1
Trypanosoma brucei histone deacetylase 4 0.0256 0.4523 0.6795
Echinococcus granulosus geminin 0.0503 0.9265 1
Echinococcus granulosus histone deacetylase 6 0.0262 0.4641 0.5009
Plasmodium vivax histone deacetylase, putative 0.0256 0.4523 1
Echinococcus granulosus histone deacetylase 6 0.0256 0.4523 0.4882
Loa Loa (eye worm) hypothetical protein 0.0059 0.0736 0.1106
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0038 0.0335 0.0504
Brugia malayi hypothetical protein 0.0236 0.4134 0.621
Loa Loa (eye worm) histone deacetylase 0.0256 0.4523 0.6795
Echinococcus granulosus histone deacetylase 7 0.0256 0.4523 0.4882
Schistosoma mansoni hypothetical protein 0.0503 0.9265 1
Trichomonas vaginalis Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase 0.0059 0.0736 0.1757
Trichomonas vaginalis histone deacetylase, putative 0.0239 0.419 1
Echinococcus granulosus single minded 2 0.0035 0.0282 0.0305
Brugia malayi Zinc carboxypeptidase family protein 0.0059 0.0736 0.1106
Schistosoma mansoni carboxypeptidase N (M14 family) 0.0059 0.0736 0.0795
Trichomonas vaginalis Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase 0.0059 0.0736 0.1757
Echinococcus multilocularis survival motor neuron protein 1 0.0236 0.4134 0.4462
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0141 0.0212
Loa Loa (eye worm) hypothetical protein 0.0159 0.2671 0.4012
Toxoplasma gondii histone deacetylase HDAC3 0.0239 0.419 0.9264
Trypanosoma cruzi cysteine peptidase, putative 0.0062 0.0806 0.1212
Brugia malayi Cytochrome P450 family protein 0.0051 0.0586 0.088
Brugia malayi hypoxia-induced factor 1 0.0147 0.2435 0.3658
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0038 0.0335 0.0055
Trypanosoma cruzi histone deacetylase 1, putative 0.0239 0.419 0.6295
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0239 0.419 1
Trypanosoma cruzi histone deacetylase, putative 0.0256 0.4523 0.6795
Schistosoma mansoni hypothetical protein 0.0048 0.053 0.0572
Loa Loa (eye worm) histone deacetylase 7A 0.0256 0.4523 0.6795
Echinococcus granulosus histone deacetylase 3 0.0239 0.419 0.4523
Loa Loa (eye worm) hypothetical protein 0.0059 0.0736 0.1106
Brugia malayi Zinc carboxypeptidase family protein 0.0059 0.0736 0.1106
Trypanosoma cruzi cysteine peptidase, putative 0.0062 0.0806 0.1212
Schistosoma mansoni histone deacetylase hda2 0.0103 0.1576 0.1702
Trichomonas vaginalis Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase 0.0059 0.0736 0.1757
Brugia malayi hypothetical protein 0.016 0.2672 0.4015
Trypanosoma cruzi Carboxypeptidase-like protein 0.0059 0.0736 0.1106
Loa Loa (eye worm) hypothetical protein 0.0239 0.419 0.6295
Trypanosoma brucei histone deacetylase 2 0.0103 0.1576 0.2368
Schistosoma mansoni histone deacetylase 4 5 0.0256 0.4523 0.4882
Echinococcus multilocularis transfer RNA-Lys 0.0035 0.0282 0.0305
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0239 0.419 1
Leishmania major histone deacetylase, putative 0.0239 0.419 0.6295
Loa Loa (eye worm) hypothetical protein 0.0059 0.0736 0.1106
Brugia malayi histone deacetylase 11 0.0103 0.1576 0.2368
Brugia malayi Histone deacetylase family protein 0.0256 0.4523 0.6795
Plasmodium vivax importin-beta 2, putative 0.0028 0.0141 0.0313
Echinococcus granulosus Zinc carboxypeptidase family protein 0.0059 0.0736 0.0795
Plasmodium falciparum histone deacetylase 2 0.0256 0.4523 1
Trichomonas vaginalis ap endonuclease, putative 0.0038 0.0335 0.08
Toxoplasma gondii exonuclease III APE 0.0038 0.0335 0.0742
Trypanosoma cruzi major cysteine proteinase, putative 0.0049 0.055 0.0826
Loa Loa (eye worm) hypothetical protein 0.0367 0.6657 1
Onchocerca volvulus 0.0343 0.6191 1
Trichomonas vaginalis Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase 0.0059 0.0736 0.1757
Trichomonas vaginalis Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase 0.0059 0.0736 0.1757
Schistosoma mansoni subfamily M14A unassigned peptidase (M14 family) 0.0343 0.6191 0.6682
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0806 0.1212
Loa Loa (eye worm) hypothetical protein 0.0059 0.0736 0.1106
Trypanosoma cruzi metallo-peptidase, Clan MC, Family M14, putative 0.0059 0.0736 0.1106
Brugia malayi Zinc carboxypeptidase family protein 0.0059 0.0736 0.1106
Leishmania major importin beta-1 subunit, putative 0.0023 0.004 0.006
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0806 0.1212
Giardia lamblia Histone deacetylase 0.0239 0.419 1
Plasmodium falciparum histone deacetylase, putative 0.0256 0.4523 1
Loa Loa (eye worm) hypothetical protein 0.016 0.2672 0.4015

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.2909 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

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

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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

No literature references available for this target.

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