Detailed information for compound 1474059

Basic information

Technical information
  • TDR Targets ID: 1474059
  • Name: methyl 4-[(3-methylphenyl)methyl]furo[2,3-d]p yrrole-5-carboxylate
  • MW: 269.295 | Formula: C16H15NO3
  • H donors: 0 H acceptors: 1 LogP: 3.3 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)c1cc2c(n1Cc1cccc(c1)C)cco2
  • InChi: 1S/C16H15NO3/c1-11-4-3-5-12(8-11)10-17-13-6-7-20-15(13)9-14(17)16(18)19-2/h3-9H,10H2,1-2H3
  • InChiKey: GOYOQMUFKHRMDA-UHFFFAOYSA-N  

Network

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Synonyms

  • 4-[(3-methylphenyl)methyl]-5-furo[2,3-d]pyrrolecarboxylic acid methyl ester
  • 4-(3-methylbenzyl)furo[2,3-d]pyrrole-5-carboxylic acid methyl ester
  • MLS000731660
  • SMR000309935
  • methyl 4-(3-methylbenzyl)-4H-furo[3,2-b]pyrrole-5-carboxylate
  • C777-0024
  • NCGC00113023-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references
Equus caballus Ferritin light chain Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 142 aa 29.6 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 43.9 %
Echinococcus granulosus expressed protein Ferritin light chain   175 aa 146 aa 28.8 %
Schistosoma japonicum Ferritin, putative Ferritin light chain   175 aa 144 aa 24.3 %
Echinococcus multilocularis expressed protein Ferritin light chain   175 aa 146 aa 30.1 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 146 aa 28.8 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 44.4 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.0188 0.5351 0.533
Leishmania major proteasome beta 5 subunit, putative 0.0322 1 1
Plasmodium vivax proteasome subunit alpha type-1, putative 0.0045 0.0361 0.0316
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.0072 0.1315 0.099
Echinococcus granulosus proteasome prosome macropain subunit alpha 0.0045 0.0361 0.0361
Loa Loa (eye worm) hypothetical protein 0.0286 0.8747 0.8741
Echinococcus granulosus prolyl endopeptidase 0.0146 0.3866 0.3866
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.0072 0.1315 0.099
Loa Loa (eye worm) proteasome subunit alpha type 1 0.0045 0.0361 0.0316
Schistosoma mansoni proteasome subunit beta 4 (T01 family) 0.0045 0.0361 0.0316
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.0188 0.5351 0.533
Brugia malayi hypothetical protein 0.0045 0.0352 0.0307
Plasmodium vivax proteasome subunit beta type-7, putative 0.0045 0.0361 0.0316
Plasmodium vivax proteasome subunit alpha type-7, putative 0.0045 0.0361 0.0316
Echinococcus multilocularis Proteasome subunit alpha type 7 0.0045 0.0361 0.0316
Plasmodium vivax proteasome subunit beta type-5, putative 0.0322 1 1
Echinococcus granulosus Proteasome subunit alpha type 7 0.0045 0.0361 0.0361
Entamoeba histolytica proteasome subunit beta type 5 precursor, putative 0.0322 1 1
Echinococcus granulosus proteasome subunit alpha type 2 0.0045 0.0361 0.0361
Schistosoma mansoni survival motor neuron protein 0.0058 0.082 0.0778
Entamoeba histolytica probable proteasome subunit beta type 2, putative 0.0045 0.0361 0.0058
Brugia malayi hypothetical protein 0.0286 0.8747 0.8741
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0146 0.3866 0.3837
Echinococcus multilocularis proteasome subunit alpha type 2 0.0045 0.0361 0.0316
Giardia lamblia Proteasome subunit beta type 1 0.0245 0.7324 0.7224
Trypanosoma brucei oligopeptidase b 0.0066 0.1098 0.0765
Echinococcus multilocularis Proteasome subunit alpha type 7 0.0045 0.0361 0.0316
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.0188 0.5351 0.6085
Loa Loa (eye worm) PAS-3 protein 0.0045 0.0361 0.0316
Schistosoma mansoni subfamily T1A non-peptidase homologue (T01 family) 0.0045 0.0361 0.0316
Echinococcus granulosus proteasome prosome macropain subunit beta type 0.0045 0.0361 0.0361
Loa Loa (eye worm) proteasome subunit alpha type 2 0.0045 0.0361 0.0316
Trypanosoma cruzi proteasome beta 6 subunit, putative 0.0245 0.7324 0.7224
Loa Loa (eye worm) proteasome subunit beta type 3 0.0045 0.0361 0.0316
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.7553 0.7542
Plasmodium vivax proteasome subunit beta type-1, putative 0.0245 0.7324 0.7311
Trypanosoma brucei serine peptidase, clan SC, family S9A-like protein 0.0066 0.1098 0.0765
Schistosoma mansoni subfamily T1A non-peptidase homologue (T01 family) 0.0045 0.0361 0.0316
Loa Loa (eye worm) proteasome subunit alpha type 7-1 0.0045 0.0361 0.0316
Schistosoma mansoni proteasome subunit alpha 7 (T01 family) 0.0045 0.0361 0.0316
Schistosoma mansoni proteasome catalytic subunit 2 (T01 family) 0.0045 0.0361 0.0316
Toxoplasma gondii proteasome subunit 0.0045 0.0361 0.0316
Brugia malayi Pre-SET motif family protein 0.0251 0.7553 0.7542
Toxoplasma gondii proteasome subunit alpha1, putative 0.0045 0.0361 0.0316
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.0188 0.5351 0.5351
Schistosoma mansoni proteasome subunit alpha 2 (T01 family) 0.0045 0.0361 0.0316
Onchocerca volvulus 0.0286 0.8764 1
Schistosoma mansoni proteasome subunit beta 2 (T01 family) 0.0045 0.0361 0.0316
Mycobacterium tuberculosis Proteasome beta subunit PrcB; assembles with alpha subunit PrcA. 0.0322 1 1
Brugia malayi proteasome subunit alpha type 4 0.0045 0.0361 0.0316
Loa Loa (eye worm) hypothetical protein 0.0146 0.3866 0.3837
Loa Loa (eye worm) proteasome subunit beta type 2 0.0045 0.0361 0.0316
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0304 0.0259
Schistosoma mansoni hypothetical protein 0.0058 0.082 0.0778
Trypanosoma cruzi proteasome beta 6 subunit, putative 0.0245 0.7324 0.7224
Entamoeba histolytica proteasome subunit alpha type 5, putative 0.0045 0.0361 0.0058
Entamoeba histolytica proteasome subunit alpha type 7, putative 0.0045 0.0361 0.0058
Echinococcus granulosus proteasome subunit beta t family 0.0045 0.0361 0.0361
Entamoeba histolytica proteasome subunit beta type 6 precursor, putative 0.0045 0.0361 0.0058
Brugia malayi proteasome subunit alpha type 3 0.0045 0.0361 0.0316
Brugia malayi prolyl oligopeptidase family protein 0.0072 0.1315 0.1275
Echinococcus granulosus proteasome subunit beta type 6 0.0045 0.0361 0.0361
Plasmodium vivax proteasome subunit alpha type-3, putative 0.0045 0.0361 0.0316
Trypanosoma brucei proteasome subunit beta type-5, putative 0.0322 1 1
Toxoplasma gondii proteasome subunit alpha type 1, putative 0.0045 0.0361 0.0316
Plasmodium vivax proteasome subunit alpha type-5, putative 0.0045 0.0361 0.0316
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.0045 0.0361 0.0316
Trypanosoma cruzi prolyl endopeptidase 0.0146 0.3866 0.3636
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0304 0.0259
Schistosoma mansoni proteasome subunit alpha 4 (T01 family) 0.0045 0.0361 0.0316
Loa Loa (eye worm) 20S proteasome alpha5 subunit 0.0045 0.0361 0.0316
Brugia malayi Proteasome subunit alpha type 1 0.0045 0.0361 0.0316
Plasmodium vivax proteasome subunit beta type-3, putative 0.0045 0.0361 0.0316
Plasmodium vivax ATP-dependent protease subunit ClpQ, putative 0.0045 0.0361 0.0316
Trypanosoma brucei prolyl oligopeptidase, putative 0.0066 0.1098 0.0765
Trypanosoma brucei proteasome beta 6 subunit 0.0245 0.7324 0.7224
Schistosoma mansoni proteasome subunit beta 3 (T01 family) 0.0045 0.0361 0.0316
Trypanosoma cruzi oligopeptidase B-like protein, putative 0.0066 0.1098 0.0765
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.8747 0.8747
Schistosoma mansoni proteasome catalytic subunit 1 (T01 family) 0.0045 0.0361 0.0316
Echinococcus granulosus proteasome prosome macropain 0.0322 1 1
Echinococcus multilocularis prolyl endopeptidase 0.0146 0.3866 0.3837
Echinococcus granulosus 20S proteasome subunit alpha 6 0.0045 0.0361 0.0361
Entamoeba histolytica proteasome subunit beta Type 4 precursor, putative 0.0045 0.0361 0.0058
Onchocerca volvulus 0.0058 0.082 0.0888
Echinococcus multilocularis proteasome subunit beta type 7 0.0045 0.0361 0.0316
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.8747 0.8741
Brugia malayi Proteasome subunit alpha type 7-1 0.0045 0.0361 0.0316
Schistosoma mansoni subfamily T1A non-peptidase homologue (T01 family) 0.0045 0.0361 0.0316
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.0072 0.1315 0.1275
Toxoplasma gondii proteasome subunit beta type 7 precursor, putative 0.0045 0.0361 0.0316
Echinococcus multilocularis proteasome subunit alpha type 6 0.0045 0.0361 0.0316
Trypanosoma cruzi serine peptidase, clan SC, family S9A-like protein, putative 0.0066 0.1098 0.0765
Schistosoma mansoni hypothetical protein 0.0043 0.0304 0.0259
Brugia malayi proteasome subunit alpha type 1 0.0045 0.0361 0.0316
Echinococcus multilocularis 20S proteasome subunit alpha 6 0.0045 0.0361 0.0316
Plasmodium vivax proteasome subunit alpha type-6, putative 0.0045 0.0361 0.0316
Echinococcus granulosus proteasome subunit alpha type 6 0.0045 0.0361 0.0361
Entamoeba histolytica proteasome subunit alpha type 4, putative 0.0045 0.0361 0.0058
Brugia malayi hypothetical protein 0.0043 0.0304 0.0259
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0245 0.7324 0.7224
Schistosoma mansoni proteasome subunit beta 3 (T01 family) 0.0045 0.0361 0.0316
Echinococcus granulosus proteasome prosome macropain subunit beta 0.0245 0.7324 0.7324
Entamoeba histolytica proteasome subunit beta type 7-B precursor, putative 0.0045 0.0361 0.0058
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.0322 1 1
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0322 1 1
Mycobacterium ulcerans proteasome PrcB 0.0322 1 1
Leishmania major oligopeptidase B-like protein,serine peptidase, clan SC, family S9A-like protein 0.0066 0.1098 0.0765
Plasmodium falciparum proteasome subunit beta type-5 0.0322 1 1
Echinococcus multilocularis Proteasome, subunit alpha beta 0.0045 0.0361 0.0316
Plasmodium vivax proteasome subunit alpha type-2, putative 0.0045 0.0361 0.0316
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.082 0.0778
Toxoplasma gondii proteasome subunit beta type 2, putative 0.0045 0.0361 0.0316
Echinococcus granulosus subfamily T1A non peptidase ue 0.0045 0.0361 0.0361
Brugia malayi prolyl oligopeptidase family protein 0.0146 0.3866 0.3837
Entamoeba histolytica proteasome subunit alpha type 5, putative 0.0045 0.0361 0.0058
Leishmania major proteasome beta 6 subunit, putative,20S proteasome beta 6 subunit, putative 0.0245 0.7324 0.7224
Loa Loa (eye worm) proteasome subunit beta type 1 0.0245 0.7324 0.7311
Schistosoma mansoni proteasome subunit alpha 1 (T01 family) 0.0045 0.0361 0.0316
Mycobacterium leprae proteasome (beta subunit) PrcB 0.0322 1 1
Echinococcus multilocularis proteasome (prosome, macropain) subunit, beta 0.0045 0.0361 0.0316
Echinococcus granulosus proteasome prosome macropain subunit beta 0.0045 0.0361 0.0361
Brugia malayi proteasome subunit beta type 2 0.0045 0.0361 0.0316
Plasmodium vivax proteasome subunit beta type-4, putative 0.0045 0.0361 0.0316
Onchocerca volvulus Notchless protein homolog 0.0045 0.0361 0.0361
Loa Loa (eye worm) proteasome subunit alpha type 6 0.0045 0.0361 0.0316
Entamoeba histolytica proteasome subunit alpha type 4, putative 0.0045 0.0361 0.0058
Schistosoma mansoni proteasome subunit alpha 6 (T01 family) 0.0045 0.0361 0.0316
Echinococcus granulosus Dipeptidyl peptidase 9 0.0072 0.1315 0.1315
Mycobacterium tuberculosis Probable protease II PtrBb [second part] (oligopeptidase B) 0.0066 0.1098 0.0765
Echinococcus multilocularis proteasome subunit beta type 6 0.0045 0.0361 0.0316
Toxoplasma gondii prolyl endopeptidase 0.0146 0.3866 0.3837
Toxoplasma gondii proteasome subunit alpha type, putative 0.0045 0.0361 0.0316
Brugia malayi proteasome subunit alpha type 6 0.0045 0.0361 0.0316
Toxoplasma gondii proteasome subunit alpha2, protease of the acylase family and NTN hydrolase fold, putative 0.0045 0.0361 0.0316
Echinococcus multilocularis proteasome (prosome, macropain) subunit, beta 0.0245 0.7324 0.7311
Entamoeba histolytica proteasome subunit alpha type 1, putative 0.0045 0.0361 0.0058
Entamoeba histolytica proteasome subunit alpha type 7, putative 0.0045 0.0361 0.0058
Loa Loa (eye worm) hypothetical protein 0.0045 0.0352 0.0307
Entamoeba histolytica proteasome subunit beta type 3, putative 0.0045 0.0361 0.0058
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.0066 0.1098 0.0765
Plasmodium vivax proteasome subunit beta type-2, putative 0.0045 0.0361 0.0316
Plasmodium vivax proteasome subunit alpha type-4, putative 0.0045 0.0361 0.0316
Schistosoma mansoni proteasome subunit beta 2 (T01 family) 0.0045 0.0361 0.0316
Leishmania major prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative 0.0146 0.3866 0.3636
Mycobacterium tuberculosis Probable protease II PtrBa [first part] (oligopeptidase B) 0.0118 0.2902 0.2636
Schistosoma mansoni proteasome subunit alpha 3 (T01 family) 0.0045 0.0361 0.0316
Trypanosoma cruzi oligopeptidase b 0.0066 0.1098 0.0765
Brugia malayi proteasome subunit alpha type 2 0.0045 0.0361 0.0316
Echinococcus multilocularis proteasome subunit beta (t family) proteasome (prosome macropain) subunit beta 0.0045 0.0361 0.0316
Plasmodium falciparum proteasome subunit beta type-1, putative 0.0245 0.7324 0.7224
Brugia malayi Proteasome A-type and B-type family protein 0.0045 0.0361 0.0316
Trichomonas vaginalis set domain proteins, putative 0.0286 0.8764 0.8717
Brugia malayi proteasome subunit beta type 1 0.0245 0.7324 0.7311
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.0072 0.1315 0.1275
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0322 1 1
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.0072 0.1315 0.099
Echinococcus multilocularis proteasome (prosome, macropain) 0.0322 1 1
Entamoeba histolytica proteasome subunit alpha type 3, putative 0.0045 0.0361 0.0058
Toxoplasma gondii proteasome subunit alpha type 5-2, putative 0.0045 0.0361 0.0316
Entamoeba histolytica proteasome subunit alpha type 6, putative 0.0045 0.0361 0.0058
Brugia malayi proteasome subunit beta type 3 0.0045 0.0361 0.0316
Trypanosoma brucei prolyl endopeptidase 0.0146 0.3866 0.3636
Toxoplasma gondii proteasome subunit beta type, putative 0.0322 1 1
Echinococcus multilocularis proteasome (prosome macropain) subunit alpha 0.0045 0.0361 0.0316
Echinococcus multilocularis Dipeptidyl peptidase 9 0.0072 0.1315 0.1275
Mycobacterium ulcerans protease II (oligopeptidase B), PtrB 0.0066 0.1098 0.0765
Toxoplasma gondii peptidase, T1 family protein 0.0045 0.0361 0.0316
Toxoplasma gondii heat shock protein hslv, putative 0.0045 0.0361 0.0316
Echinococcus multilocularis proteasome (prosome macropain) subunit beta type 0.0045 0.0361 0.0316
Loa Loa (eye worm) proteasome subunit alpha type 3 0.0045 0.0361 0.0316
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0304 0.0304
Echinococcus multilocularis subfamily T1A non peptidase ue 0.0045 0.0361 0.0316
Giardia lamblia Proteasome subunit beta type 5 precursor 0.0322 1 1
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0322 1 1
Schistosoma mansoni proteasome catalytic subunit 3 (T01 family) 0.0322 1 1
Wolbachia endosymbiont of Brugia malayi ATP-dependent protease peptidase subunit 0.0045 0.0361 0.5
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.0072 0.1315 0.099
Toxoplasma gondii 20S proteasome subunit beta 7, putative 0.0045 0.0361 0.0316
Toxoplasma gondii proteasome beta subunit 0.0045 0.0361 0.0316
Toxoplasma gondii proteasome subunit beta type 1, putative 0.0245 0.7324 0.7311
Mycobacterium tuberculosis Probable peptidase 0.0066 0.1098 0.0765
Brugia malayi 20S proteasome alpha5 subunit 0.0045 0.0361 0.0316
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.0072 0.1315 0.099
Echinococcus granulosus Proteasome subunit alpha beta 0.0045 0.0361 0.0361
Echinococcus granulosus proteasome subunit beta type 7 0.0045 0.0361 0.0361
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0046 0.0046
Brugia malayi Proteasome A-type and B-type family protein 0.0045 0.0361 0.0316
Brugia malayi Proteasome A-type and B-type family protein 0.0045 0.0361 0.0316
Trypanosoma cruzi oligopeptidase b 0.0066 0.1098 0.0765
Entamoeba histolytica proteasome subunit alpha type 2-A, putative 0.0045 0.0361 0.0058
Loa Loa (eye worm) prolyl oligopeptidase 0.0188 0.5351 0.533
Schistosoma mansoni proteasome subunit beta 1 (T01 family) 0.0245 0.7324 0.7311
Entamoeba histolytica calcium-dependent protein kinase 2, putative 0.0045 0.0361 0.0058
Plasmodium vivax proteasome subunit beta type-6, putative 0.0045 0.0361 0.0316
Schistosoma mansoni proteasome subunit beta 2 (T01 family) 0.0045 0.0361 0.0316
Leishmania major oligopeptidase b 0.0066 0.1098 0.0765
Entamoeba histolytica proteasome subunit alpha type 3, putative 0.0045 0.0361 0.0058
Brugia malayi prolyl oligopeptidase family protein 0.0188 0.5351 0.533
Onchocerca volvulus Prolyl endopeptidase homolog 0.0146 0.3866 0.4381
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.0045 0.0361 0.0316
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.0045 0.0361 0.0316
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0146 0.3866 0.3837
Echinococcus multilocularis Proteasome subunit alpha type 7 0.0045 0.0361 0.0316
Entamoeba histolytica proteasome subunit beta type 1, putative 0.0245 0.7324 0.724

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.13 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) = 5.6234 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.9433 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
Potency (functional) 11.6891 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 22.3872 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: Total Fluorescence Counterscreen for Inhibitors of the Interaction of Thyroid Hormone Receptor and Steroid Receptor Coregulator 2. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 30.1313 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 2 (EPAC2): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 39.8107 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) 56.2341 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
Potency (functional) 89.1251 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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