Detailed information for compound 1293866

Basic information

Technical information
  • TDR Targets ID: 1293866
  • Name: (12aS)-2-(3-isopropoxypropyl)-6,6-dimethyl-3, 7,12,12a-tetrahydropyrazino[4,3-b]$b-carbolin e-1,4-quinone
  • MW: 383.484 | Formula: C22H29N3O3
  • H donors: 1 H acceptors: 2 LogP: 2.38 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(OCCCN1CC(=O)N2[C@H](C1=O)Cc1c(C2(C)C)[nH]c2c1cccc2)C
  • InChi: 1S/C22H29N3O3/c1-14(2)28-11-7-10-24-13-19(26)25-18(21(24)27)12-16-15-8-5-6-9-17(15)23-20(16)22(25,3)4/h5-6,8-9,14,18,23H,7,10-13H2,1-4H3/t18-/m0/s1
  • InChiKey: OCQUTXHKSGAQNP-SFHVURJKSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ZINC04029904
  • STOCK1N-30235

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
Onchocerca volvulus 0.0071 0.0092 0.0073
Plasmodium falciparum importin beta, putative 0.0031 0.0027 0.0048
Trypanosoma brucei telomerase reverse transcriptase 0.1692 0.2715 1
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.1692 0.2715 1
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0074 0.0097 1
Loa Loa (eye worm) AUR protein kinase 0.0069 0.0088 0.0421
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0022 0.0013 0.002
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0464 0.0728 0.1003
Plasmodium vivax ataxin-2 like protein, putative 0.0027 0.002 0.0025
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0107 0.015 0.0714
Entamoeba histolytica protein kinase, putative 0.1307 0.2093 1
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0464 0.0728 0.3479
Echinococcus multilocularis glycogen synthase kinase 3 beta 0.1307 0.2093 1
Loa Loa (eye worm) hypothetical protein 0.0086 0.0117 0.0558
Trichomonas vaginalis CMGC family protein kinase 0.1307 0.2093 1
Echinococcus multilocularis inositol monophosphatase 1 0.0074 0.0097 0.0461
Schistosoma mansoni cpg binding protein 0.0061 0.0075 0.0359
Mycobacterium tuberculosis Probable lipase LipD 0.0071 0.0092 0.0239
Loa Loa (eye worm) intermediate filament protein 0.0026 0.002 0.0095
Schistosoma mansoni serine/threonine protein kinase 0.0069 0.0088 0.042
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.006 0.0075 0.0227
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0062 0.0077 0.0236
Plasmodium falciparum glycogen synthase kinase 3 0.1307 0.2093 0.7697
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0074 0.0097 0.5
Schistosoma mansoni importin beta-1 0.0031 0.0027 0.0126
Onchocerca volvulus Serine\/threonine kinase homolog 0.0107 0.015 0.013
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.0017 0.0018
Mycobacterium ulcerans beta-lactamase 0.0071 0.0092 0.7872
Loa Loa (eye worm) hypothetical protein 0.0071 0.0092 0.0442
Loa Loa (eye worm) hypothetical protein 0.0071 0.0092 0.0442
Echinococcus granulosus microtubule associated protein 2 0.0704 0.1116 0.5332
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.002 0.0025
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0464 0.0728 0.3438
Giardia lamblia Kinase, PLK 0.0107 0.015 0.0504
Loa Loa (eye worm) hypothetical protein 0.0027 0.002 0.0097
Trichomonas vaginalis AGC family protein kinase 0.0069 0.0088 0.0359
Loa Loa (eye worm) hypothetical protein 0.0301 0.0464 0.2215
Loa Loa (eye worm) AUR protein kinase 0.0069 0.0088 0.0421
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0071 0.0092 0.0442
Trichomonas vaginalis CAMK family protein kinase 0.0107 0.015 0.0655
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0074 0.0097 0.0328
Mycobacterium tuberculosis Probable lipase LipE 0.0071 0.0092 0.0239
Entamoeba histolytica protein kinase, putative 0.0069 0.0088 0.0359
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0107 0.015 0.0504
Loa Loa (eye worm) hypothetical protein 0.0071 0.0092 0.0442
Brugia malayi hypothetical protein 0.0017 0.0005 0.0007
Trypanosoma brucei aurora B kinase 0.0069 0.0088 0.0296
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0074 0.0097 0.0308
Loa Loa (eye worm) CMGC/GSK protein kinase 0.1307 0.2093 1
Onchocerca volvulus 0.0057 0.007 0.005
Schistosoma mansoni hypothetical protein 0.0818 0.1301 0.6216
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.006 0.0075 0.0357
Schistosoma mansoni lamin 0.0026 0.002 0.0094
Toxoplasma gondii HEAT repeat-containing protein 0.0031 0.0027 0.0048
Brugia malayi serine/threonine-protein kinase plk-2 0.0107 0.015 0.0206
Loa Loa (eye worm) hypothetical protein 0.0164 0.0242 0.1155
Giardia lamblia Kinase, CMGC GSK 0.1307 0.2093 0.7697
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0319 0.0493 0.2306
Leishmania major phosphatidylinositol 3-kinase, putative 0.006 0.0075 0.0227
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0071 0.0092 0.7872
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0022 0.0013 0.0064
Entamoeba histolytica hypothetical protein 0.0369 0.0575 0.27
Brugia malayi serine/threonine kinase 12 0.0069 0.0088 0.0121
Entamoeba histolytica protein kinase domain containing protein 0.1307 0.2093 1
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.006 0.0075 0.0227
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0074 0.0097 0.0308
Loa Loa (eye worm) hypothetical protein 0.0071 0.0092 0.0442
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.0036 0.0173
Brugia malayi serine/threonine protein kinase 6 0.0069 0.0088 0.0121
Echinococcus granulosus serine:threonine protein kinase 12 B 0.0069 0.0088 0.042
Leishmania major telomerase reverse transcriptase, putative 0.1692 0.2715 1
Loa Loa (eye worm) beta-lactamase 0.0071 0.0092 0.0442
Entamoeba histolytica serine/threonine protein kinase, putative 0.0107 0.015 0.0655
Echinococcus multilocularis dnaJ subfamily B 0.0818 0.1301 0.6216
Entamoeba histolytica hypothetical protein 0.0037 0.0036 0.011
Plasmodium vivax importin-beta 2, putative 0.0031 0.0027 0.0048
Leishmania major protein kinase, putative 0.0069 0.0088 0.0276
Trypanosoma brucei PAB1-binding protein , putative 0.0027 0.002 0.0046
Toxoplasma gondii aurora kinase 0.0069 0.0088 0.0276
Entamoeba histolytica hypothetical protein 0.0037 0.0036 0.011
Loa Loa (eye worm) hypothetical protein 0.0086 0.0117 0.0558
Brugia malayi F/Y-rich N-terminus family protein 0.0018 0.0005 0.0008
Entamoeba histolytica serine/threonine- protein kinase 6 , putative 0.0069 0.0088 0.0359
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0155 0.0228 0.1033
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0074 0.0097 0.0308
Mycobacterium tuberculosis Probable esterase LipL 0.0071 0.0092 0.0239
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0464 0.0728 0.3479
Entamoeba histolytica hypothetical protein 0.0025 0.0017 0.0018
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0464 0.0728 0.2646
Schistosoma mansoni ran 0.0022 0.0013 0.0064
Schistosoma mansoni lamin 0.0026 0.002 0.0094
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.0036 0.0173
Entamoeba histolytica serine/threonine- protein kinase 6, putative 0.0069 0.0088 0.0359
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.002 0.0027
Trichomonas vaginalis AGC family protein kinase 0.0069 0.0088 0.0359
Echinococcus multilocularis protein kinase shaggy 0.1307 0.2093 1
Leishmania major hypothetical protein, conserved 0.0071 0.0092 0.0292
Trypanosoma cruzi hypothetical protein, conserved 0.0071 0.0092 0.0292
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.006 0.0075 0.0296
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0155 0.0228 0.0314
Trichomonas vaginalis inositol monophosphatase, putative 0.0074 0.0097 0.04
Trichomonas vaginalis esterase, putative 0.0071 0.0092 0.038
Mycobacterium ulcerans esterase/lipase LipP 0.0071 0.0092 0.7872
Schistosoma mansoni intermediate filament proteins 0.0026 0.002 0.0094
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0074 0.0097 0.04
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0071 0.0092 0.0441
Trichomonas vaginalis AGC family protein kinase 0.0069 0.0088 0.0359
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.002 0.0025
Entamoeba histolytica protein kinase domain containing protein 0.0069 0.0088 0.0359
Entamoeba histolytica serine/threonine protein kinase 6, putative 0.0069 0.0088 0.0359
Mycobacterium leprae conserved hypothetical protein 0.0071 0.0092 1
Trypanosoma brucei hypothetical protein, conserved 0.0071 0.0092 0.0312
Trichomonas vaginalis CAMK family protein kinase 0.0107 0.015 0.0655
Schistosoma mansoni aldehyde dehydrogenase 0.0062 0.0077 0.0369
Brugia malayi hypothetical protein 0.0246 0.0376 0.0517
Trichomonas vaginalis D-aminoacylase, putative 0.0071 0.0092 0.038
Leishmania major hypothetical protein, conserved 0.0027 0.002 0.0025
Onchocerca volvulus 0.1307 0.2093 0.2077
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.0036 0.0173
Loa Loa (eye worm) CMGC/GSK protein kinase 0.1307 0.2093 1
Trichomonas vaginalis CAMK family protein kinase 0.0107 0.015 0.0655
Schistosoma mansoni inositol monophosphatase 0.0074 0.0097 0.0461
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0369 0.0575 0.27
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0464 0.0728 0.2646
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0022 0.0013 0.0064
Trypanosoma brucei protein kinase, putative 0.1307 0.2093 0.7701
Schistosoma mansoni kinase 0.0061 0.0075 0.0358
Trypanosoma brucei importin beta-1 subunit, putative 0.0031 0.0027 0.0069
Mycobacterium leprae Probable lipase LipE 0.0071 0.0092 1
Echinococcus granulosus importin subunit beta 1 0.0031 0.0027 0.0126
Mycobacterium tuberculosis Probable hydrolase 0.0071 0.0092 0.0239
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.002 0.0095
Echinococcus multilocularis beta LACTamase domain containing family member 0.0071 0.0092 0.0441
Mycobacterium ulcerans hypothetical protein 0.0071 0.0092 0.7872
Brugia malayi beta-lactamase family protein 0.0071 0.0092 0.0127
Trichomonas vaginalis D-aminoacylase, putative 0.0071 0.0092 0.038
Echinococcus granulosus lamin dm0 0.0026 0.002 0.0094
Brugia malayi hypothetical protein 0.0037 0.0036 0.005
Trichomonas vaginalis CAMK family protein kinase 0.0059 0.0073 0.0287
Plasmodium falciparum serine/threonine protein kinase, putative 0.0069 0.0088 0.0276
Loa Loa (eye worm) hypothetical protein 0.0071 0.0092 0.0442
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0155 0.0228 0.1033
Toxoplasma gondii histone lysine methyltransferase SET1 0.0109 0.0153 0.0517
Brugia malayi Telomerase reverse transcriptase 0.4502 0.7262 1
Schistosoma mansoni phosphatidylinositol 4-kinase 0.006 0.0075 0.0357
Leishmania major importin beta-1 subunit, putative 0.0025 0.0017 0.0014
Plasmodium vivax telomerase reverse transcriptase, putative 0.1692 0.2715 1
Schistosoma mansoni hypothetical protein 0.0326 0.0505 0.2413
Loa Loa (eye worm) phosphatidylinositol 3 0.0142 0.0206 0.0985
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.006 0.0075 0.0357
Plasmodium vivax glycogen synthase kinase 3, putative 0.1307 0.2093 0.7697
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0066 0.0084 0.0107
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0071 0.0092 0.0239
Echinococcus granulosus aurora kinase A 0.0069 0.0088 0.042
Trichomonas vaginalis penicillin-binding protein, putative 0.0071 0.0092 0.038
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0071 0.0092 0.0239
Echinococcus granulosus glycogen synthase kinase 3 beta 0.1307 0.2093 1
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0155 0.0228 0.1033
Trichomonas vaginalis CAMK family protein kinase 0.0107 0.015 0.0655
Loa Loa (eye worm) hypothetical protein 0.0026 0.002 0.0095
Loa Loa (eye worm) hypothetical protein 0.0246 0.0376 0.1796
Schistosoma mansoni aldehyde dehydrogenase 0.0062 0.0077 0.0369
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0155 0.0228 0.1033
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0464 0.0728 0.3438
Trichomonas vaginalis CAMK family protein kinase 0.0107 0.015 0.0655
Echinococcus multilocularis snurportin 1 0.0326 0.0505 0.2413
Trypanosoma cruzi aurora B kinase, putative 0.0069 0.0088 0.0276
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0464 0.0728 0.3479
Loa Loa (eye worm) hypothetical protein 0.0031 0.0027 0.0127
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0464 0.0728 0.3438
Trypanosoma cruzi polo-like protein kinase, putative 0.0107 0.015 0.0504
Plasmodium vivax serine/threonine protein kinase 6, putative 0.0069 0.0088 0.0276
Echinococcus granulosus lamin 0.0026 0.002 0.0094
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0018 0.0006 0.0027
Echinococcus multilocularis aurora kinase A 0.0069 0.0088 0.042
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) 0.1307 0.2093 1
Toxoplasma gondii LsmAD domain-containing protein 0.0027 0.002 0.0025
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.006 0.0075 0.0227
Entamoeba histolytica hypothetical protein 0.0037 0.0036 0.011
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0224 0.034 0.1207
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0022 0.0013 0.0019
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.006 0.0075 0.0357
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0155 0.0228 0.0795
Trichomonas vaginalis CAMK family protein kinase 0.0107 0.015 0.0655
Brugia malayi CXXC zinc finger family protein 0.0057 0.007 0.0096
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.006 0.0075 0.0103
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0074 0.0097 0.04
Trichomonas vaginalis importin beta-1, putative 0.0025 0.0017 0.0018
Brugia malayi Inositol-1 0.0074 0.0097 0.0133
Echinococcus granulosus dnaJ subfamily B 0.0818 0.1301 0.6216
Echinococcus granulosus protein kinase shaggy 0.1307 0.2093 1
Echinococcus granulosus snurportin 1 0.0326 0.0505 0.2413
Loa Loa (eye worm) hypothetical protein 0.0246 0.0376 0.1796
Schistosoma mansoni eyes absent homolog 0.0086 0.0117 0.0558
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0464 0.0728 0.3438
Schistosoma mansoni inositol monophosphatase 0.0074 0.0097 0.0461
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.002 0.0025
Entamoeba histolytica protein kinase, putative 0.0069 0.0088 0.0359
Echinococcus multilocularis lamin 0.0026 0.002 0.0094
Trichomonas vaginalis D-aminoacylase, putative 0.0071 0.0092 0.038
Loa Loa (eye worm) inositol-1 0.0074 0.0097 0.0462
Trichomonas vaginalis AGC family protein kinase 0.0069 0.0088 0.0359
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.006 0.0075 0.0296
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.006 0.0075 0.0358
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.006 0.0075 0.0227
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.002 0.0025
Brugia malayi beta-lactamase 0.0071 0.0092 0.0127
Loa Loa (eye worm) hypothetical protein 0.0071 0.0092 0.0442
Schistosoma mansoni serine/threonine protein kinase 0.0107 0.015 0.0714
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0107 0.015 0.0715
Mycobacterium tuberculosis Conserved protein 0.0071 0.0092 0.0239
Giardia lamblia Telomerase catalytic subunit 0.1692 0.2715 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0018 0.0006 0.0027
Plasmodium vivax hypothetical protein, conserved 0.0071 0.0092 0.0292
Loa Loa (eye worm) hypothetical protein 0.0026 0.0019 0.0091
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0319 0.0493 0.2306
Echinococcus multilocularis Zinc finger, PHD finger 0.006 0.0075 0.0357
Echinococcus granulosus beta LACTamase domain containing family member 0.0071 0.0092 0.0441
Schistosoma mansoni protein kinase 0.0069 0.0088 0.042
Loa Loa (eye worm) CXXC zinc finger family protein 0.0057 0.007 0.0335
Plasmodium falciparum phosphatidylinositol 3-kinase 0.006 0.0075 0.0227
Giardia lamblia Aurora kinase 0.0069 0.0088 0.0276
Entamoeba histolytica protein kinase domain containing protein 0.1307 0.2093 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0074 0.0097 0.04
Schistosoma mansoni ran 0.0022 0.0013 0.0064
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.006 0.0075 0.0227
Trichomonas vaginalis CMGC family protein kinase 0.1307 0.2093 1
Onchocerca volvulus Huntingtin homolog 0.0246 0.0376 0.0357
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0071 0.0092 0.0239
Entamoeba histolytica hypothetical protein 0.0037 0.0036 0.011
Trichomonas vaginalis penicillin-binding protein, putative 0.0071 0.0092 0.038
Onchocerca volvulus 0.0071 0.0092 0.0073
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0301 0.0464 0.2215
Toxoplasma gondii RNA-directed DNA polymerase 0.1692 0.2715 1
Echinococcus multilocularis serine:threonine protein kinase 12 B 0.0069 0.0088 0.042
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.006 0.0075 0.0296
Giardia lamblia Kinase, CMGC GSK 0.1307 0.2093 0.7697
Mycobacterium tuberculosis Conserved protein 0.0071 0.0092 0.0239
Trypanosoma brucei polo-like protein kinase 0.0107 0.015 0.0524
Echinococcus granulosus cpg binding protein 0.0061 0.0075 0.0359
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0326 0.0505 0.2414
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0155 0.0228 0.109
Brugia malayi RNA, U transporter 1 0.0087 0.0118 0.0162
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.1692 0.2715 1
Trypanosoma cruzi importin beta-1 subunit, putative 0.0025 0.0017 0.0014
Onchocerca volvulus Huntingtin homolog 0.0246 0.0376 0.0357
Loa Loa (eye worm) histone methyltransferase 0.0018 0.0006 0.0028
Brugia malayi Importin beta-1 subunit 0.0031 0.0027 0.0037
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.006 0.0075 0.0296
Mycobacterium tuberculosis Conserved protein 0.0071 0.0092 0.0239
Entamoeba histolytica protein kinase , putative 0.0069 0.0088 0.0359
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.006 0.0075 0.0247
Toxoplasma gondii aldehyde dehydrogenase 0.0062 0.0077 0.0236
Trypanosoma cruzi glycogen synthase kinase 3, putative 0.1307 0.2093 0.7697
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0155 0.0228 0.0814
Schistosoma mansoni cpg binding protein 0.0057 0.007 0.0334
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0142 0.0206 0.0713
Loa Loa (eye worm) phosphatidylinositol 3 0.0369 0.0575 0.2747
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0071 0.0092 0.0127
Echinococcus granulosus inositol monophosphatase 1 0.0074 0.0097 0.0461
Brugia malayi serine/threonine-protein kinase 6 0.0069 0.0088 0.0121
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.006 0.0075 0.0296
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0206 0.031 0.1427
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.006 0.0075 0.0227
Trichomonas vaginalis CAMK family protein kinase 0.0059 0.0073 0.0287
Echinococcus granulosus GTP binding nuclear protein Ran 0.0022 0.0013 0.0064
Onchocerca volvulus 0.0071 0.0092 0.0073
Echinococcus granulosus intermediate filament protein 0.0026 0.002 0.0094
Brugia malayi hypothetical protein 0.0086 0.0117 0.0161
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.0017 0.0018
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0155 0.0228 0.1033
Schistosoma mansoni cpg binding protein 0.0061 0.0075 0.0359
Trypanosoma brucei importin beta-1 subunit, putative 0.0031 0.0027 0.0069
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.045 0.0706 0.3331
Loa Loa (eye worm) AUR protein kinase 0.0069 0.0088 0.0421
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0107 0.015 0.0714
Leishmania major glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270 0.1307 0.2093 0.7697
Brugia malayi beta-lactamase family protein 0.0071 0.0092 0.0127
Echinococcus multilocularis musashi 0.0026 0.002 0.0094
Echinococcus multilocularis cpg binding protein 0.0061 0.0075 0.0359
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0122 0.0174 0.0832
Toxoplasma gondii cell-cycle-associated protein kinase GSK, putative 0.1307 0.2093 0.7697
Echinococcus multilocularis microtubule associated protein 2 0.0704 0.1116 0.5332
Echinococcus multilocularis lamin dm0 0.0026 0.002 0.0094
Schistosoma mansoni microtubule-associated protein tau 0.0704 0.1116 0.5332
Brugia malayi hypothetical protein 0.0027 0.002 0.0028
Plasmodium falciparum telomerase reverse transcriptase 0.1692 0.2715 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0456 0.0714 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0107 0.015 0.0504
Echinococcus multilocularis importin subunit beta 1 0.0031 0.0027 0.0126
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.006 0.0075 0.0357
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0301 0.0464 0.0638
Mycobacterium ulcerans lipase LipD 0.0071 0.0092 0.7872
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0109 0.0153 0.0515
Trichomonas vaginalis CAMK family protein kinase 0.0107 0.015 0.0655
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0062 0.0077 0.0369
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0074 0.0097 0.0308
Schistosoma mansoni hypothetical protein 0.0037 0.0036 0.0173
Toxoplasma gondii ABC1 family protein 0.0071 0.0092 0.0292
Brugia malayi intermediate filament protein 0.0026 0.002 0.0027
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0301 0.0464 0.2215
Trypanosoma cruzi hypothetical protein, conserved 0.0071 0.0092 0.0292
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0071 0.0092 0.0441
Brugia malayi intracellular kinase 0.1307 0.2093 0.2881
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0062 0.0077 0.0369

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 14.7157 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) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] 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

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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