Detailed information for compound 979051

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 353.412 | Formula: C21H23NO4
  • H donors: 1 H acceptors: 2 LogP: 3.32 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(O)c(cc1CN1CCOCC1)C(=O)/C=C/c1ccccc1
  • InChi: 1S/C21H23NO4/c1-25-21-14-20(24)18(13-17(21)15-22-9-11-26-12-10-22)19(23)8-7-16-5-3-2-4-6-16/h2-8,13-14,24H,9-12,15H2,1H3/b8-7+
  • InChiKey: WDAHOVVHQOJONN-BQYQJAHWSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0025 0.0119 0.0119
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0413 0.0978
Schistosoma mansoni protein phosphatase 2C 0.0016 0.001 0.0023
Trypanosoma brucei protein kinase, putative 0.0052 0.046 0.3724
Mycobacterium ulcerans hypothetical protein 0.0035 0.0247 1
Toxoplasma gondii hypothetical protein 0.0041 0.0326 0.2444
Schistosoma mansoni jumonji/arid domain-containing protein 0.0062 0.0588 0.1394
Loa Loa (eye worm) hypothetical protein 0.0147 0.1678 0.9158
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative 0.0089 0.0934 0.7648
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0247 0.5
Echinococcus multilocularis mitogen activated protein kinase 0.0052 0.046 0.046
Brugia malayi Probable protein farnesyltransferase beta subunit, putative 0.003 0.0184 0.1004
Loa Loa (eye worm) hypothetical protein 0.003 0.0184 0.1004
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0247 0.1189
Entamoeba histolytica rodhanase-like domain containing protein 0.0115 0.1274 0.6897
Brugia malayi Protein kinase domain containing protein 0.0089 0.0934 0.5094
Trypanosoma brucei Protein prenyltransferase alpha subunit repeat, putative 0.0041 0.0326 0.2622
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.0434 0.2368
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.008 0.0827 0.0827
Schistosoma mansoni jumonji domain containing protein 0.0062 0.0588 0.1394
Loa Loa (eye worm) hypothetical protein 0.0115 0.1274 0.6953
Brugia malayi MAP kinase sur-1 0.0052 0.046 0.2508
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0116 0.0585
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0247 0.1189
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0062 0.0588 0.1674
Brugia malayi intracellular kinase 0.0048 0.0415 0.2266
Echinococcus multilocularis geminin 0.0178 0.2073 0.2073
Echinococcus multilocularis muscleblind protein 0.0147 0.1678 0.1678
Loa Loa (eye worm) jmjC domain-containing protein 0.0016 0.001 0.0052
Schistosoma mansoni hypothetical protein 0.0025 0.0119 0.0282
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0326 0.2622
Entamoeba histolytica protein kinase, putative 0.0048 0.0415 0.2124
Trichomonas vaginalis cdc25c, putative 0.0115 0.1274 0.6897
Trypanosoma brucei protein farnesyltransferase alpha subunit, putative 0.0041 0.0326 0.2622
Loa Loa (eye worm) hypothetical protein 0.0062 0.0598 0.3261
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.0111 0.1218 0.6583
Trypanosoma brucei hypothetical protein, conserved 0.0041 0.0326 0.2622
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0089 0.0934 0.7648
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0116 0.0823
Loa Loa (eye worm) hypothetical protein 0.0035 0.0247 0.1348
Echinococcus multilocularis JmjC domain containing protein 4 0.0016 0.001 0.001
Schistosoma mansoni hypothetical protein 0.006 0.057 0.1349
Echinococcus multilocularis protein farnesyltransferase subunit beta 0.0111 0.1218 0.1218
Trypanosoma brucei geranylgeranyl transferase type II beta subunit, putative 0.003 0.0184 0.1443
Brugia malayi beta-lactamase family protein 0.0035 0.0247 0.1348
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.0033 0.0094
Schistosoma mansoni geranylgeranyl transferase type I beta subunit 0.003 0.0184 0.0436
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0233 0.1272
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0247 0.1189
Entamoeba histolytica protein kinase domain containing protein 0.0048 0.0415 0.2124
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) 0.0048 0.0415 0.0984
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0116 0.0883
Brugia malayi Protein prenyltransferase alpha subunit repeat containing protein 0.0159 0.1833 1
Trypanosoma brucei Protein prenyltransferase alpha subunit repeat, putative 0.0041 0.0326 0.2622
Trypanosoma cruzi protein farnesyltransferase alpha subunit, putative 0.0041 0.0326 0.2622
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0018 0.0033 0.0194
Trichomonas vaginalis mitotic inducer phosphatase CDC25, putative 0.0115 0.1274 0.6897
Schistosoma mansoni ap endonuclease 0.0018 0.0033 0.0078
Onchocerca volvulus 0.0041 0.0326 0.0773
Entamoeba histolytica protein farnesyltransferase alpha subunit, putative 0.0159 0.1833 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0062 0.0588 0.321
Schistosoma mansoni hypothetical protein 0.0034 0.0233 0.0552
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.0041 0.0326 0.1781
Echinococcus multilocularis geranylgeranyl transferase type 2 subunit alpha 0.0041 0.0326 0.0326
Loa Loa (eye worm) hypothetical protein 0.0035 0.0247 0.1348
Echinococcus granulosus lysine specific demethylase 6a 0.0016 0.001 0.0027
Mycobacterium tuberculosis Conserved protein 0.0035 0.0247 0.0814
Trypanosoma brucei protein farnesyltransferase beta subunit 0.0111 0.1218 1
Trichomonas vaginalis type I geranylgeranyltransferase beta subunit, putative 0.0111 0.1218 0.6583
Schistosoma mansoni glutamate receptor AMPA 0.0067 0.0663 0.1571
Schistosoma mansoni glutamate receptor NMDA 0.0345 0.4222 1
Toxoplasma gondii hypothetical protein 0.0118 0.1305 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0247 0.1348
Entamoeba histolytica Rab geranylgeranyltransferase beta subunit, putative 0.003 0.0184 0.0838
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.0118 0.1305 0.707
Toxoplasma gondii Rab geranylgeranyl transferase type II beta subunit, putative 0.003 0.0184 0.1346
Trichomonas vaginalis CMGC family protein kinase 0.0052 0.046 0.237
Giardia lamblia Kinase, CMGC GSK 0.0048 0.0415 0.2124
Echinococcus multilocularis glutamate receptor ionotropic kainate 0.0025 0.0119 0.0119
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0052 0.046 0.3724
Brugia malayi Prenyltransferase and squalene oxidase repeat family protein 0.003 0.0184 0.1004
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.0247 0.0814
Echinococcus multilocularis m phase inducer phosphatase(cdc25) 0.0115 0.1274 0.1274
Echinococcus multilocularis glutamate receptor 2 0.0055 0.0507 0.0507
Entamoeba histolytica protein farnesyltransferase beta subunit, putative 0.0111 0.1218 0.6583
Schistosoma mansoni m-phase inducer phosphatase(cdc25) 0.0115 0.1274 0.3018
Echinococcus granulosus protein prenyltransferase alpha subunit 0.0041 0.0326 0.0929
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0247 0.1348
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0.0033 0.5
Echinococcus granulosus dual specificity 0.0089 0.0934 0.2657
Echinococcus multilocularis glutamate receptor 2 0.0067 0.0663 0.0663
Loa Loa (eye worm) beta-lactamase 0.0035 0.0247 0.1348
Echinococcus granulosus Rac GTPase activating protein 1 0.0072 0.0724 0.2061
Leishmania major protein farnesyltransferase alpha subunit, putative 0.0041 0.0326 0.2622
Echinococcus multilocularis muscleblind protein 1 0.0147 0.1678 0.1678
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase 0.0089 0.0934 0.5094
Toxoplasma gondii prenyltransferase and squalene oxidase repeat-containing protein 0.003 0.0184 0.1346
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.0247 0.0814
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0052 0.046 0.3472
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.0159 0.1833 1
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0016 0.001 0.001
Entamoeba histolytica protein kinase, putative 0.0089 0.0934 0.5004
Echinococcus granulosus geranylgeranyl transferase type 2 subunit alpha 0.0041 0.0326 0.0929
Brugia malayi hypothetical protein 0.0016 0.0004 0.0021
Onchocerca volvulus 0.0048 0.0415 0.1638
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0247 1
Trichomonas vaginalis m-phase inducer phosphatase, putative 0.0115 0.1274 0.6897
Schistosoma mansoni protein farnesyltransferase subunit beta 0.0111 0.1218 0.2884
Echinococcus multilocularis Ribosomal protein S1, RNA binding domain 0.0025 0.0119 0.0119
Toxoplasma gondii ABC1 family protein 0.0035 0.0247 0.1832
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0048 0.0413 0.2253
Mycobacterium tuberculosis Halimadienyl diphosphate synthase 0.003 0.0184 0.0574
Trichomonas vaginalis CMGC family protein kinase 0.0048 0.0415 0.2124
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0018 0.0033 0.0194
Trypanosoma cruzi protein farnesyltransferase, putative 0.0111 0.1218 1
Giardia lamblia Kinase, CMGC MAPK 0.0052 0.046 0.237
Loa Loa (eye worm) prenyltransferase and squalene oxidase repeat family protein 0.003 0.0184 0.1004
Brugia malayi Protein prenyltransferase alpha subunit repeat containing protein 0.0041 0.0326 0.1781
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0413 0.0413
Loa Loa (eye worm) hypothetical protein 0.0087 0.0916 0.4999
Schistosoma mansoni phd/f-box containing protein 0.0016 0.001 0.0023
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.008 0.0827 0.2354
Loa Loa (eye worm) hypothetical protein 0.0035 0.0247 0.1348
Trichomonas vaginalis mitotic inducer phosphatase CDC25, putative 0.0115 0.1274 0.6897
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0116 0.0585
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0247 0.0585
Loa Loa (eye worm) hypothetical protein 0.0087 0.0916 0.4999
Loa Loa (eye worm) hypothetical protein 0.0106 0.1159 0.6325
Echinococcus granulosus phd:f box containing protein 0.0016 0.001 0.0027
Plasmodium vivax glycogen synthase kinase 3, putative 0.0048 0.0415 0.2225
Brugia malayi jmjC domain containing protein 0.0016 0.001 0.0052
Echinococcus granulosus glutamate receptor NMDA 0.0265 0.3194 0.909
Leishmania major geranylgeranyltransferase, putative 0.003 0.0184 0.1443
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0048 0.0415 0.2266
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0052 0.046 0.3724
Trypanosoma brucei lanosterol synthase 0.003 0.0184 0.1443
Brugia malayi Glutamate receptor 1 precursor 0.0067 0.0663 0.3618
Echinococcus multilocularis protein kinase shaggy 0.0048 0.0415 0.0415
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.0247 0.0814
Echinococcus multilocularis Rac GTPase activating protein 1 0.0072 0.0724 0.0724
Echinococcus multilocularis NMDA receptor 0.0025 0.0119 0.0119
Trypanosoma brucei CMGC/DYRK protein kinase, putative 0.0089 0.0934 0.7648
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.008 0.0827 0.0827
Trypanosoma cruzi lanosterol synthase, putative 0.003 0.0184 0.1443
Entamoeba histolytica protein kinase domain containing protein 0.0089 0.0934 0.5004
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0116 0.0883
Trichomonas vaginalis geranylgeranyl transferase type beta subunit, putative 0.0111 0.1218 0.6583
Schistosoma mansoni ATP-binding cassette transporter 0.0067 0.0663 0.1571
Loa Loa (eye worm) jmjC domain-containing protein 0.0016 0.001 0.0052
Mycobacterium ulcerans beta-lactamase 0.0035 0.0247 1
Echinococcus multilocularis mitogen activated protein kinase 3 0.0052 0.046 0.046
Echinococcus granulosus geminin 0.0178 0.2073 0.5899
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0247 0.1965
Brugia malayi Prenyltransferase and squalene oxidase repeat family protein 0.0111 0.1218 0.6645
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0116 0.0585
Trypanosoma cruzi protein farnesyltransferase, putative 0.0111 0.1218 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0033 0.0129
Schistosoma mansoni phosphatidylserine receptor 0.0016 0.001 0.0023
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.0033 0.0033
Entamoeba histolytica protein kinase, putative 0.0089 0.0934 0.5004
Plasmodium vivax prenyltransferase alpha subunit, putative 0.0159 0.1833 1
Leishmania major hypothetical protein, conserved 0.0035 0.0247 0.1965
Trypanosoma cruzi hypothetical protein, conserved 0.003 0.0184 0.1443
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.0247 0.0814
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0247 0.1189
Loa Loa (eye worm) prenyltransferase and squalene oxidase repeat family protein 0.0111 0.1218 0.6645
Toxoplasma gondii exonuclease III APE 0.0018 0.0033 0.0181
Echinococcus granulosus nmda type glutamate receptor 0.0278 0.3358 0.9557
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0116 0.0883
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0159 0.1833 1
Echinococcus multilocularis protein prenyltransferase alpha subunit 0.0041 0.0326 0.0326
Mycobacterium ulcerans lipase LipD 0.0035 0.0247 1
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.008 0.0827 0.0827
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0326 0.2622
Schistosoma mansoni ap endonuclease 0.0018 0.0033 0.0078
Trypanosoma cruzi geranylgeranyl transferase type II beta subunit, putative 0.003 0.0184 0.1443
Trichomonas vaginalis protein farnesyltransferase beta subunit, putative 0.003 0.0184 0.0838
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.0111 0.1218 0.6583
Schistosoma mansoni jumonji/arid domain-containing protein 0.0062 0.0588 0.1394
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0048 0.0415 0.2266
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0247 0.1965
Echinococcus granulosus dnaJ subfamily C 6 0.006 0.057 0.1621
Echinococcus granulosus glutamate receptor subunit protein glur 0.0025 0.0119 0.0338
Loa Loa (eye worm) glutamate receptor 2 0.0067 0.0663 0.3618
Echinococcus multilocularis glutamate receptor NMDA 0.0265 0.3194 0.3194
Loa Loa (eye worm) hypothetical protein 0.0016 0.001 0.0052
Echinococcus granulosus m phase inducer phosphatasecdc25 0.0115 0.1274 0.3626
Echinococcus granulosus glutamate receptor 2 0.008 0.0827 0.2354
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0052 0.046 0.3724
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.008 0.0827 0.0827
Giardia lamblia Rab geranylgeranyltransferase 0.003 0.0184 0.0838
Trypanosoma cruzi protein farnesyltransferase alpha subunit, putative 0.0041 0.0326 0.2622
Giardia lamblia Rab geranylgeranyltransferase 0.0159 0.1833 1
Onchocerca volvulus 0.0115 0.1274 1
Trichomonas vaginalis m-phase inducer phosphatase, putative 0.0115 0.1274 0.6897
Trichomonas vaginalis CMGC family protein kinase 0.0052 0.046 0.237
Toxoplasma gondii prenyltransferase and squalene oxidase repeat-containing protein 0.0111 0.1218 0.9323
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0413 0.0413
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0033 0.0181
Echinococcus multilocularis Rab geranylgeranyltransferase, beta subunit 0.003 0.0184 0.0184
Onchocerca volvulus 0.0115 0.1274 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0247 0.1348
Brugia malayi jmjC domain containing protein 0.0016 0.001 0.0052
Loa Loa (eye worm) hypothetical protein 0.0072 0.0724 0.3952
Echinococcus multilocularis dnaJ subfamily C 6 0.006 0.057 0.057
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0048 0.0413 0.2253
Mycobacterium tuberculosis Conserved protein 0.0035 0.0247 0.0814
Brugia malayi jmjC domain containing protein 0.0062 0.0588 0.321
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0052 0.046 0.2508
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.0111 0.1218 0.6583
Loa Loa (eye worm) glutamate receptor 1 0.0067 0.0663 0.3618
Echinococcus granulosus nmda type glutamate receptor 0.029 0.3514 1
Loa Loa (eye worm) hypothetical protein 0.0115 0.1274 0.6953
Echinococcus granulosus Ribosomal protein S1 RNA binding domain 0.0025 0.0119 0.0338
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0413 0.0978
Plasmodium vivax geranylgeranyltransferase, putative 0.003 0.0184 0.0956
Schistosoma mansoni glutamate receptor NMDA 0.0067 0.0663 0.1571
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0247 0.0585
Schistosoma mansoni serine/threonine protein kinase 0.0089 0.0934 0.2211
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0247 0.0703
Onchocerca volvulus 0.0115 0.1274 1
Brugia malayi beta-lactamase 0.0035 0.0247 0.1348
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0247 0.1189
Plasmodium vivax conserved Plasmodium protein, unknown function 0.0081 0.0833 0.4516
Brugia malayi RhoGAP domain containing protein 0.0062 0.0598 0.3261
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.008 0.0827 0.2354
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0033 0.0129
Brugia malayi RhoGAP domain containing protein 0.0072 0.0724 0.3952
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.008 0.0827 0.2354
Entamoeba histolytica hypothetical protein 0.0089 0.0934 0.5004
Echinococcus multilocularis nmda type glutamate receptor 0.0278 0.3358 0.3358
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0016 0.001 0.0027
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.0159 0.1833 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0247 0.1348
Echinococcus granulosus glutamate receptor ionotropic kainate 0.0025 0.0119 0.0338
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.008 0.0827 0.2354
Plasmodium falciparum protein farnesyltransferase subunit beta 0.0111 0.1218 0.6627
Echinococcus granulosus geranylgeranyl transferase type I beta subunit 0.003 0.0184 0.0524
Giardia lamblia Rab geranylgeranyltransferase 0.0041 0.0326 0.163
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0018 0.0033 0.0194
Echinococcus granulosus mitogen activated protein kinase 0.0052 0.046 0.1308
Trichomonas vaginalis geranylgeranyl transferase type I beta subunit, putative 0.0111 0.1218 0.6583
Leishmania major farnesyltransferase beta subunit 0.0111 0.1218 1
Echinococcus granulosus muscleblind protein 0.0147 0.1678 0.4776
Echinococcus granulosus protein farnesyltransferase alpha subunit 0.0159 0.1833 0.5215
Trypanosoma cruzi glycogen synthase kinase 3, putative 0.0048 0.0415 0.3358
Schistosoma mansoni glutamate receptor kainate 0.0067 0.0663 0.1571
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0062 0.0588 0.0588
Brugia malayi jmjC domain containing protein 0.0016 0.001 0.0052
Plasmodium falciparum protein farnesyltransferase subunit alpha 0.0159 0.1833 1
Trichomonas vaginalis CMGC family protein kinase 0.0052 0.046 0.237
Echinococcus multilocularis phd:f box containing protein 0.0016 0.001 0.001
Loa Loa (eye worm) hypothetical protein 0.0159 0.1833 1
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.0247 0.0814
Echinococcus multilocularis protein farnesyltransferase alpha subunit 0.0159 0.1833 0.1833
Leishmania major hypothetical protein, conserved 0.0025 0.0116 0.0883
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0016 0.001 0.0023
Echinococcus multilocularis glutamate receptor 2 0.008 0.0827 0.0827
Trypanosoma cruzi Protein prenyltransferase alpha subunit repeat, putative 0.0041 0.0326 0.2622
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0.0033 0.5
Brugia malayi hypothetical protein 0.0025 0.0116 0.0634
Loa Loa (eye worm) hypothetical protein 0.0147 0.1678 0.9158
Loa Loa (eye worm) hypothetical protein 0.0106 0.1159 0.6325
Echinococcus granulosus JmjC domain containing protein 4 0.0016 0.001 0.0027
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.0033 0.0181
Loa Loa (eye worm) hypothetical protein 0.0016 0.001 0.0052
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0041 0.0326 0.163
Echinococcus multilocularis jumonji domain containing 1A 0.0016 0.001 0.001
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.0247 0.0814
Echinococcus multilocularis glutamate receptor subunit protein glur 0.0025 0.0119 0.0119
Echinococcus granulosus glutamate receptor ionotropic kainate 3 0.0025 0.0119 0.0338
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0052 0.046 0.3724
Schistosoma mansoni glutamate receptor kainate 0.0067 0.0663 0.1571
Brugia malayi Rhodanese-like domain containing protein 0.0115 0.1274 0.6953
Schistosoma mansoni glutamate receptor AMPA 0.0067 0.0663 0.1571
Trichomonas vaginalis mitotic inducer phosphatase CDC25, putative 0.0115 0.1274 0.6897
Echinococcus multilocularis dual specificity 0.0089 0.0934 0.0934
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0089 0.0934 0.7648
Trichomonas vaginalis protein farnesyltransferase beta subunit, putative 0.003 0.0184 0.0838
Echinococcus multilocularis glycogen synthase kinase 3 beta 0.0048 0.0415 0.0415
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0052 0.046 0.3724
Brugia malayi Glutamate receptor 2 precursor 0.0067 0.0663 0.3618
Schistosoma mansoni jumonji domain containing protein 0.0016 0.001 0.0023
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0247 0.1348
Echinococcus multilocularis lysine specific demethylase 5A 0.0062 0.0588 0.0588
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.0247 0.0814
Echinococcus granulosus glutamate NMDA receptor subunit 0.0067 0.0663 0.1887
Plasmodium falciparum geranylgeranyl transferase type2 beta subunit, putative 0.003 0.0184 0.0956
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0018 0.0033 0.0194
Toxoplasma gondii cell-cycle-associated protein kinase GSK, putative 0.0048 0.0415 0.3131
Trichomonas vaginalis esterase, putative 0.0035 0.0247 0.1189
Trypanosoma cruzi lanosterol synthase, putative 0.003 0.0184 0.1443
Loa Loa (eye worm) hypothetical protein 0.0016 0.001 0.0052
Schistosoma mansoni geranylgeranyl transferase type I beta subunit 0.003 0.0184 0.0436
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0159 0.1833 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0116 0.0634
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0247 0.1965
Mycobacterium leprae Probable lipase LipE 0.0035 0.0247 0.5
Echinococcus granulosus glycogen synthase kinase 3 beta 0.0048 0.0415 0.1182
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0247 1
Echinococcus multilocularis lysine specific demethylase 6a 0.0016 0.001 0.001
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0413 0.1175
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0413 0.1175
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0041 0.0326 0.0773
Leishmania major glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270 0.0048 0.0415 0.3358
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.0434 0.2368
Trichomonas vaginalis geranylgeranyl transferase type I beta subunit, putative 0.003 0.0184 0.0838
Plasmodium vivax protein prenyltransferase alpha subunit, putative 0.0041 0.0326 0.1737
Entamoeba histolytica geranylgeranyl transferase beta subunit 0.003 0.0184 0.0838
Trichomonas vaginalis protein kinase inhibitor, putative 0.006 0.057 0.2982
Giardia lamblia Prenyltransferase 0.0111 0.1218 0.6583
Echinococcus granulosus jumonji domain containing 1A 0.0016 0.001 0.0027
Plasmodium falciparum glycogen synthase kinase 3 0.0048 0.0415 0.2225
Plasmodium vivax farnesyltransferase beta subunit, putative 0.0111 0.1218 0.6627
Plasmodium falciparum geranylgeranyltransferase, putative 0.003 0.0184 0.0956
Brugia malayi Rhodanese-like domain containing protein 0.0115 0.1274 0.6953
Loa Loa (eye worm) DnaJ domain-containing protein 0.006 0.057 0.3109
Entamoeba histolytica rodhanase-like domain containing protein 0.0115 0.1274 0.6897
Brugia malayi jmjC domain containing protein 0.0016 0.001 0.0052
Entamoeba histolytica protein kinase domain containing protein 0.0048 0.0415 0.2124
Entamoeba histolytica rodhanase-like domain containing protein 0.0115 0.1274 0.6897
Brugia malayi DnaJ domain containing protein 0.006 0.057 0.3109
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0052 0.046 0.3724
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0413 0.0978
Trichomonas vaginalis CMGC family protein kinase 0.0052 0.046 0.237
Loa Loa (eye worm) hypothetical protein 0.005 0.0434 0.2368
Schistosoma mansoni glutamate receptor kainate 0.0067 0.0663 0.1571
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.0067 0.0663 0.0663
Onchocerca volvulus 0.0115 0.1274 1
Plasmodium vivax geranylgeranyl transferase type2 beta subunit, putative 0.003 0.0184 0.0956
Trichomonas vaginalis cdc25b, putative 0.0115 0.1274 0.6897
Schistosoma mansoni protein farnesyltransferase alpha subunit 0.0159 0.1833 0.4341
Schistosoma mansoni rac gtpase activating protein 0.0072 0.0724 0.1716
Loa Loa (eye worm) jmjC domain-containing protein 0.0016 0.001 0.0052
Echinococcus granulosus mitogen activated protein kinase 3 0.0052 0.046 0.1308
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0223 0.266 1
Trypanosoma cruzi hypothetical protein, conserved 0.003 0.0184 0.1443
Echinococcus granulosus protein kinase shaggy 0.0048 0.0415 0.1182
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0052 0.046 0.3724
Echinococcus granulosus protein farnesyltransferase subunit beta 0.0111 0.1218 0.3465
Echinococcus granulosus glutamate receptor 2 0.0055 0.0507 0.1444
Giardia lamblia Rho GAP, putative 0.0062 0.0598 0.3137
Brugia malayi jmjC domain containing protein 0.0062 0.0588 0.321
Schistosoma mansoni serine/threonine protein kinase 0.0052 0.046 0.1088
Plasmodium falciparum geranylgeranyl transferase type-2 subunit alpha, putative 0.0041 0.0326 0.1737
Brugia malayi beta-lactamase family protein 0.0035 0.0247 0.1348
Trypanosoma brucei protein kinase, putative 0.0048 0.0415 0.3358
Echinococcus granulosus lysine specific demethylase 5A 0.0062 0.0588 0.1674
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0247 0.1302
Brugia malayi Muscleblind-like protein 0.0147 0.1678 0.9158
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.0434 0.2368
Schistosoma mansoni geranylgeranyl transferase type II beta subunit 0.003 0.0184 0.0436
Echinococcus multilocularis nmda type glutamate receptor 0.029 0.3514 0.3514
Loa Loa (eye worm) hypothetical protein 0.0034 0.0233 0.1272
Giardia lamblia Kinase, CMGC GSK 0.0048 0.0415 0.2124
Schistosoma mansoni hypothetical protein 0.0178 0.2073 0.491
Schistosoma mansoni hypothetical protein 0.0178 0.2073 0.491
Mycobacterium tuberculosis Conserved protein 0.0035 0.0247 0.0814
Echinococcus multilocularis geranylgeranyl transferase type I beta subunit 0.003 0.0184 0.0184
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0247 0.0247
Loa Loa (eye worm) hypothetical protein 0.003 0.0184 0.1004
Entamoeba histolytica Rab geranylgeranyltransferase alpha subunit, putative 0.0041 0.0326 0.163
Trichomonas vaginalis CMGC family protein kinase 0.0048 0.0415 0.2124
Trichomonas vaginalis cdc25b, putative 0.0115 0.1274 0.6897

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 0.03 ug ml-1 Cytotoxicity against human MCF7 cells after 3 days by SRB assay ChEMBL. 18602831
EC50 (functional) = 0.78 ug ml-1 Cytotoxicity against human PC3 cells after 3 days by SRB assay ChEMBL. 18602831
EC50 (functional) = 3.5 ug ml-1 Cytotoxicity against vinblastine-resistant human KB cells after 3 days by SRB assay ChEMBL. 18602831
EC50 (functional) = 14.9 ug ml-1 Cytotoxicity against human KB cells after 3 days by SRB assay ChEMBL. 18602831
IC50 (ADMET) = 0.19 uM Cytotoxicity against mouse RAW264.7 cells assessed as cell viability after 4 hrs by MTT assay ChEMBL. 21441032
IC50 (functional) = 0.2 uM Inhibition of LPS/IFNgamma-induced NO production in mouse RAW264.7 cells after 24 hrs by Griess reagent method ChEMBL. 21441032
IC50 (binding) > 20 uM Inhibition of Cdk1/cyclin B ChEMBL. 18639462

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Mus musculus ChEMBL23 21441032

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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