Detailed information for compound 181754

Basic information

Technical information
  • TDR Targets ID: 181754
  • Name: 3-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3 -yl]-4-naphthalen-1-ylpyrrole-2,5-dione
  • MW: 397.426 | Formula: C24H19N3O3
  • H donors: 2 H acceptors: 4 LogP: 2.77 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCCCn1cc(c2c1nccc2)C1=C(C(=O)NC1=O)c1cccc2c1cccc2
  • InChi: 1S/C24H19N3O3/c28-13-5-12-27-14-19(18-10-4-11-25-22(18)27)21-20(23(29)26-24(21)30)17-9-3-7-15-6-1-2-8-16(15)17/h1-4,6-11,14,28H,5,12-13H2,(H,26,29,30)
  • InChiKey: RLESTJQOEHIBLM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]-4-(1-naphthyl)pyrrole-2,5-dione
  • 3-[1-(3-hydroxypropyl)-3-pyrrolo[2,3-b]pyridinyl]-4-(1-naphthalenyl)pyrrole-2,5-dione
  • 3-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]-4-naphthalen-1-yl-pyrrole-2,5-dione
  • 3-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]-4-(1-naphthyl)-3-pyrroline-2,5-quinone
  • 3-[1-(3-hydroxypropyl)pyrrolo[5,4-b]pyridin-3-yl]-4-naphthalen-1-ylpyrrole-2,5-dione
  • 3-[1-(3-hydroxypropyl)pyrrolo[5,4-b]pyridin-3-yl]-4-(1-naphthyl)pyrrole-2,5-dione
  • 3-[1-(3-hydroxypropyl)-3-pyrrolo[5,4-b]pyridinyl]-4-(1-naphthyl)pyrrole-2,5-dione
  • 3-[1-(3-hydroxypropyl)pyrrolo[5,4-b]pyridin-3-yl]-4-(1-naphthyl)-3-pyrroline-2,5-quinone
  • 3-[1-(3-hydroxypropyl)pyrrolo[5,4-b]pyridin-3-yl]-4-naphthalen-1-yl-pyrrole-2,5-dione

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens protein kinase C, beta Starlite/ChEMBL References
Homo sapiens protein kinase C, alpha Starlite/ChEMBL References
Homo sapiens glycogen synthase kinase 3 beta Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium falciparum glycogen synthase kinase 3 Get druggable targets OG5_126888 All targets in OG5_126888
Plasmodium berghei glycogen synthase kinase 3, putative Get druggable targets OG5_126888 All targets in OG5_126888
Schistosoma japonicum Protein kinase C gamma type, putative Get druggable targets OG5_129482 All targets in OG5_129482
Echinococcus multilocularis telomerase reverse transcriptase subunit Get druggable targets OG5_129482 All targets in OG5_129482
Echinococcus granulosus glycogen synthase kinase 3 beta Get druggable targets OG5_126888 All targets in OG5_126888
Loa Loa (eye worm) CMGC/GSK protein kinase Get druggable targets OG5_126888 All targets in OG5_126888
Echinococcus granulosus Protein kinase C brain isozyme Get druggable targets OG5_129482 All targets in OG5_129482
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126888 All targets in OG5_126888
Neospora caninum hypothetical protein Get druggable targets OG5_126888 All targets in OG5_126888
Babesia bovis protein kinase domain containing protein Get druggable targets OG5_126888 All targets in OG5_126888
Trypanosoma congolense protein kinase, putative Get druggable targets OG5_126888 All targets in OG5_126888
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126888 All targets in OG5_126888
Loa Loa (eye worm) CMGC/GSK protein kinase Get druggable targets OG5_126888 All targets in OG5_126888
Candida albicans protein kinase C similar to S. cerevisiae PKC1 (YBL105C) Get druggable targets OG5_129482 All targets in OG5_129482
Brugia malayi intracellular kinase Get druggable targets OG5_126888 All targets in OG5_126888
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_129482 All targets in OG5_129482
Echinococcus multilocularis Protein kinase C, brain isozyme Get druggable targets OG5_129482 All targets in OG5_129482
Leishmania major glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270 Get druggable targets OG5_126888 All targets in OG5_126888
Onchocerca volvulus Get druggable targets OG5_126888 All targets in OG5_126888
Echinococcus multilocularis serine threonine protein kinase Get druggable targets OG5_129482 All targets in OG5_129482
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129482 All targets in OG5_129482
Candida albicans protein kinase C similar to S. cerevisiae PKC1 (YBL105C) Get druggable targets OG5_129482 All targets in OG5_129482
Echinococcus granulosus protein kinase shaggy Get druggable targets OG5_126888 All targets in OG5_126888
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129482 All targets in OG5_129482
Plasmodium knowlesi glycogen synthase kinase 3, putative Get druggable targets OG5_126888 All targets in OG5_126888
Entamoeba histolytica protein kinase domain containing protein Get druggable targets OG5_126888 All targets in OG5_126888
Echinococcus multilocularis glycogen synthase kinase 3 beta Get druggable targets OG5_126888 All targets in OG5_126888
Giardia lamblia Kinase, CMGC GSK Get druggable targets OG5_126888 All targets in OG5_126888
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) Get druggable targets OG5_126888 All targets in OG5_126888
Trypanosoma brucei gambiense protein kinase, putative,glycogen synthase kinase, putative Get druggable targets OG5_126888 All targets in OG5_126888
Schistosoma japonicum Protein kinase C alpha type, putative Get druggable targets OG5_129482 All targets in OG5_129482
Leishmania donovani glycogen synthase kinase 3, putative Get druggable targets OG5_126888 All targets in OG5_126888
Leishmania infantum glycogen synthase kinase 3 Get druggable targets OG5_126888 All targets in OG5_126888
Schistosoma japonicum Calcium-dependent protein kinase C, putative Get druggable targets OG5_129482 All targets in OG5_129482
Candida albicans second truncated form of RIM11 Serine/threonine protein kinase Get druggable targets OG5_126888 All targets in OG5_126888
Schistosoma japonicum Protein kinase C alpha type, putative Get druggable targets OG5_129482 All targets in OG5_129482
Echinococcus granulosus RNA directed DNA polymerase Get druggable targets OG5_129482 All targets in OG5_129482
Echinococcus multilocularis protein kinase shaggy Get druggable targets OG5_126888 All targets in OG5_126888
Trypanosoma cruzi glycogen synthase kinase 3, putative Get druggable targets OG5_126888 All targets in OG5_126888
Leishmania mexicana protein kinase, putative,glycogen synthase kinase, putative Get druggable targets OG5_126888 All targets in OG5_126888
Entamoeba histolytica protein kinase domain containing protein Get druggable targets OG5_126888 All targets in OG5_126888
Plasmodium yoelii Protein kinase domain, putative Get druggable targets OG5_126888 All targets in OG5_126888
Toxoplasma gondii cell-cycle-associated protein kinase GSK, putative Get druggable targets OG5_126888 All targets in OG5_126888
Entamoeba histolytica protein kinase, putative Get druggable targets OG5_126888 All targets in OG5_126888
Leishmania braziliensis protein kinase, putative,glycogen synthase kinase, putative Get druggable targets OG5_126888 All targets in OG5_126888
Plasmodium vivax glycogen synthase kinase 3, putative Get druggable targets OG5_126888 All targets in OG5_126888
Giardia lamblia Kinase, CMGC GSK Get druggable targets OG5_126888 All targets in OG5_126888
Cryptosporidium parvum hypothetical protein Get druggable targets OG5_126888 All targets in OG5_126888
Echinococcus multilocularis RNA directed DNA polymerase Get druggable targets OG5_129482 All targets in OG5_129482
Candida albicans second truncated form of RIM11 Serine/threonine protein kinase Get druggable targets OG5_126888 All targets in OG5_126888
Echinococcus granulosus protein kinase C gamma type Get druggable targets OG5_129482 All targets in OG5_129482
Brugia malayi Protein kinase c protein 2 Get druggable targets OG5_129482 All targets in OG5_129482
Trypanosoma brucei protein kinase, putative Get druggable targets OG5_126888 All targets in OG5_126888
Loa Loa (eye worm) AGC/PKC/ALPHA protein kinase Get druggable targets OG5_129482 All targets in OG5_129482
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_129482 All targets in OG5_129482
Theileria parva glycogen synthase kinase, putative Get druggable targets OG5_126888 All targets in OG5_126888
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_126888 All targets in OG5_126888
Candida albicans hypothetical protein Get druggable targets OG5_126888 All targets in OG5_126888
Schistosoma japonicum ko:K08822 glycogen synthase kinase 3 alpha, putative Get druggable targets OG5_126888 All targets in OG5_126888
Schistosoma japonicum IPR000477,RNA-directed DNA polymerase (Reverse transcriptase),domain-containing Get druggable targets OG5_129482 All targets in OG5_129482
Candida albicans Serine/threonine protein kinase required for induction of IME2 by Ime1p Get druggable targets OG5_126888 All targets in OG5_126888
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
Trichomonas vaginalis penicillin-binding protein, putative 0.0042 0.0918 0.5773
Brugia malayi Hr1 repeat family protein 0.0021 0.0088 0.023
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0035 0.0647 0.1691
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0042 0.0918 0.1282
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0134 0.4639 0.6475
Loa Loa (eye worm) hypothetical protein 0.0095 0.3073 0.8353
Loa Loa (eye worm) hypothetical protein 0.011 0.3662 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0035 0.0647 0.1691
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0019 0 0.5
Echinococcus multilocularis RNA directed DNA polymerase 0.0095 0.3073 0.4289
Echinococcus multilocularis serine:threonine protein kinase 38 0.0021 0.0088 0.0123
Loa Loa (eye worm) hypothetical protein 0.0035 0.0647 0.1563
Echinococcus multilocularis serine:threonine protein kinase N2 0.0021 0.0088 0.0123
Brugia malayi beta-lactamase 0.0042 0.0918 0.2401
Mycobacterium tuberculosis Probable lipase LipE 0.0042 0.0918 0.0918
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0019 0 0.5
Mycobacterium tuberculosis Probable oxidoreductase 0.0139 0.4845 0.4845
Loa Loa (eye worm) glutathione reductase 0.0055 0.1446 0.3801
Trichomonas vaginalis AGC family protein kinase 0.0021 0.0088 0.0553
Trypanosoma brucei trypanothione reductase 0.0055 0.1446 0.9092
Echinococcus multilocularis Ribosomal protein S6 kinase beta 2 0.0021 0.0088 0.0123
Schistosoma mansoni coup transcription factor 0.0035 0.0647 0.0903
Mycobacterium tuberculosis Probable reductase 0.0125 0.4282 0.4282
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.0021 0.0088 0.0123
Schistosoma mansoni thyroid hormone receptor 0.0035 0.0647 0.0903
Plasmodium vivax hypothetical protein, conserved 0.0042 0.0918 0.5773
Onchocerca volvulus 0.0042 0.0918 0.2877
Trichomonas vaginalis D-aminoacylase, putative 0.0042 0.0918 0.5773
Brugia malayi intracellular kinase 0.0058 0.1591 0.4159
Brugia malayi p70 ribosomal S6 kinase beta 0.0021 0.0088 0.023
Schistosoma mansoni nuclear hormone receptor 0.0035 0.0647 0.0903
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0035 0.0647 0.0903
Brugia malayi Protein kinase domain containing protein 0.0021 0.0088 0.023
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0042 0.0918 0.0918
Trichomonas vaginalis AGC family protein kinase 0.0021 0.0088 0.0553
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) 0.0058 0.1591 0.222
Echinococcus granulosus Protein kinase C brain isozyme 0.0134 0.4639 0.6475
Toxoplasma gondii AGC kinase 0.0021 0.0088 0.0553
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0035 0.0647 0.1691
Loa Loa (eye worm) hypothetical protein 0.0035 0.0647 0.1563
Trypanosoma brucei protein kinase, putative 0.0058 0.1591 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0125 0.4282 0.4282
Trichomonas vaginalis CMGC family protein kinase 0.0058 0.1591 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0139 0.4845 0.4845
Trichomonas vaginalis AGC family protein kinase 0.0021 0.0088 0.0553
Echinococcus granulosus Ribosomal protein S6 kinase beta 2 0.0021 0.0088 0.0123
Mycobacterium ulcerans lipase LipD 0.0042 0.0918 1
Echinococcus multilocularis protein kinase shaggy 0.0058 0.1591 0.222
Echinococcus multilocularis thyroid hormone receptor alpha 0.0035 0.0647 0.0903
Loa Loa (eye worm) steroid hormone receptor 0.0035 0.0647 0.1563
Brugia malayi Nuclear hormone receptor-like 1 0.0035 0.0647 0.1691
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0035 0.0647 0.0903
Plasmodium falciparum glutathione reductase 0.0055 0.1446 0.9092
Loa Loa (eye worm) hypothetical protein 0.0035 0.0647 0.1563
Trypanosoma brucei hypothetical protein, conserved 0.0042 0.0918 0.5773
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0042 0.0918 0.0918
Echinococcus multilocularis thioredoxin glutathione reductase 0.0055 0.1446 0.2019
Schistosoma mansoni steroid hormone receptor ad4bp 0.0035 0.0647 0.0903
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0035 0.0647 0.0903
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0035 0.0647 0.0903
Echinococcus granulosus ecdysone induced protein 78C 0.0035 0.0647 0.0903
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0125 0.4282 0.4282
Trypanosoma brucei rac serine-threonine kinase, putative 0.0021 0.0088 0.0553
Entamoeba histolytica protein kinase domain containing protein 0.0058 0.1591 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0035 0.0647 0.1691
Brugia malayi ecdysteroid receptor 0.0035 0.0647 0.1691
Schistosoma mansoni retinoic acid receptor RXR 0.0035 0.0647 0.0903
Loa Loa (eye worm) hypothetical protein 0.0042 0.0918 0.2323
Schistosoma mansoni hypothetical protein 0.0197 0.7165 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0035 0.0647 0.0903
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0035 0.0647 0.0903
Loa Loa (eye worm) beta-lactamase 0.0042 0.0918 0.2323
Plasmodium vivax glutathione reductase, putative 0.0055 0.1446 0.9092
Trichomonas vaginalis D-aminoacylase, putative 0.0042 0.0918 0.5773
Mycobacterium tuberculosis Probable lipase LipD 0.0042 0.0918 0.0918
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0035 0.0647 0.0903
Trichomonas vaginalis esterase, putative 0.0042 0.0918 0.5773
Echinococcus granulosus RNA directed DNA polymerase 0.0095 0.3073 0.4289
Brugia malayi nuclear hormone receptor 0.0035 0.0647 0.1691
Mycobacterium tuberculosis Conserved protein 0.0042 0.0918 0.0918
Loa Loa (eye worm) hypothetical protein 0.0042 0.0918 0.2323
Treponema pallidum NADH oxidase 0.0019 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0035 0.0647 0.1691
Echinococcus multilocularis glycogen synthase kinase 3 beta 0.0058 0.1591 0.222
Schistosoma mansoni serine/threonine protein kinase 0.0039 0.0799 0.1115
Brugia malayi Protein kinase domain containing protein 0.0021 0.0088 0.023
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0035 0.0647 0.0903
Echinococcus multilocularis protein kinase c epsilon type 0.0039 0.0799 0.1115
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0035 0.0647 0.1691
Brugia malayi beta-lactamase family protein 0.0042 0.0918 0.2401
Brugia malayi Thioredoxin reductase 0.0055 0.1446 0.3782
Echinococcus granulosus serine:threonine protein kinase N2 0.0021 0.0088 0.0123
Mycobacterium tuberculosis Probable esterase LipL 0.0042 0.0918 0.0918
Leishmania major trypanothione reductase 0.0055 0.1446 0.9092
Echinococcus multilocularis FTZ F1 alpha 0.0035 0.0647 0.0903
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0035 0.0647 0.0903
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0035 0.0647 0.0903
Echinococcus multilocularis serine threonine protein kinase 0.0119 0.405 0.5653
Echinococcus multilocularis ribosomal protein s6 kinase beta 1 0.0021 0.0088 0.0123
Trichomonas vaginalis penicillin-binding protein, putative 0.0042 0.0918 0.5773
Schistosoma mansoni atypical protein kinase C 0.0036 0.0677 0.0944
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0035 0.0647 0.1691
Giardia lamblia Kinase, CMGC GSK 0.0058 0.1591 1
Toxoplasma gondii cell-cycle-associated protein kinase GSK, putative 0.0058 0.1591 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0035 0.0647 0.0903
Echinococcus multilocularis ecdysone induced protein 78C 0.0035 0.0647 0.0903
Echinococcus multilocularis serine:threonine protein kinase N2 0.0021 0.0088 0.0123
Loa Loa (eye worm) hypothetical protein 0.0035 0.0647 0.1563
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0039 0.0799 0.1989
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0035 0.0647 0.1691
Trypanosoma cruzi glycogen synthase kinase 3, putative 0.0058 0.1591 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0042 0.0918 0.2401
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0035 0.0647 0.0903
Echinococcus multilocularis protein kinase c iota type 0.0036 0.0677 0.0944
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0125 0.4282 0.8565
Trichomonas vaginalis CMGC family protein kinase 0.0058 0.1591 1
Brugia malayi protein kinase C II. 0.0039 0.0799 0.2089
Schistosoma mansoni hypothetical protein 0.0197 0.7165 1
Trichomonas vaginalis AGC family protein kinase 0.0021 0.0088 0.0553
Loa Loa (eye worm) hypothetical protein 0.0035 0.0647 0.1563
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0139 0.4845 1
Echinococcus granulosus protein kinase C gamma type 0.0119 0.405 0.5653
Echinococcus granulosus thioredoxin glutathione reductase 0.0055 0.1446 0.2019
Schistosoma mansoni thyroid hormone receptor 0.0035 0.0647 0.0903
Onchocerca volvulus 0.0058 0.1591 1
Trypanosoma cruzi hypothetical protein, conserved 0.0042 0.0918 0.5773
Trichomonas vaginalis AGC family protein kinase 0.0021 0.0088 0.0553
Brugia malayi steroid hormone receptor 0.0035 0.0647 0.1691
Brugia malayi glutathione reductase 0.0055 0.1446 0.3782
Echinococcus granulosus geminin 0.0197 0.7165 1
Trichomonas vaginalis AGC family protein kinase 0.0021 0.0088 0.0553
Trichomonas vaginalis AGC family protein kinase 0.0021 0.0088 0.0553
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0035 0.0647 0.1691
Toxoplasma gondii ABC1 family protein 0.0042 0.0918 0.5773
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0125 0.4282 0.4282
Loa Loa (eye worm) hypothetical protein 0.0035 0.0647 0.1563
Echinococcus granulosus beta LACTamase domain containing family member 0.0042 0.0918 0.1282
Brugia malayi Steroid receptor seven-up type 2 0.0035 0.0647 0.1691
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0058 0.1591 0.4205
Trichomonas vaginalis AGC family protein kinase 0.0021 0.0088 0.0553
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0035 0.0647 0.1563
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0035 0.0647 0.1691
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0042 0.0918 0.2323
Loa Loa (eye worm) hypothetical protein 0.0042 0.0918 0.2323
Trichomonas vaginalis AGC family protein kinase 0.0021 0.0088 0.0553
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0125 0.4282 0.4282
Schistosoma mansoni RAR-like nuclear receptor 0.0035 0.0647 0.0903
Echinococcus multilocularis telomerase reverse transcriptase subunit 0.0095 0.3073 0.4289
Loa Loa (eye worm) AGC/PKC/ALPHA protein kinase 0.0099 0.3236 0.8808
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0035 0.0647 0.0903
Echinococcus granulosus protein kinase c iota type 0.0036 0.0677 0.0944
Leishmania major glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270 0.0058 0.1591 1
Schistosoma mansoni serine/threonine protein kinase 0.0021 0.0088 0.0123
Trichomonas vaginalis AGC family protein kinase 0.0021 0.0088 0.0553
Schistosoma mansoni serine/threonine protein kinase 0.0021 0.0088 0.0123
Loa Loa (eye worm) thioredoxin reductase 0.0055 0.1446 0.3801
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0035 0.0647 0.0903
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0035 0.0647 0.0903
Echinococcus granulosus NDR protein kinase 0.0021 0.0088 0.0123
Mycobacterium tuberculosis Probable dehydrogenase 0.0125 0.4282 0.4282
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0035 0.0647 0.0903
Loa Loa (eye worm) hypothetical protein 0.0042 0.0918 0.2323
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0035 0.0647 0.1563
Brugia malayi Protein kinase c protein 2 0.0114 0.3825 1
Mycobacterium ulcerans esterase/lipase LipP 0.0042 0.0918 1
Brugia malayi nuclear receptor NHR-88 0.0035 0.0647 0.1691
Schistosoma mansoni serine/threonine protein kinase 0.0134 0.4639 0.6475
Mycobacterium tuberculosis Conserved protein 0.0042 0.0918 0.0918
Trypanosoma cruzi trypanothione reductase, putative 0.0055 0.1446 0.9092
Giardia lamblia Kinase, CMGC GSK 0.0058 0.1591 1
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 0.0021 0.0088 0.0123
Onchocerca volvulus 0.0042 0.0918 0.2877
Mycobacterium ulcerans hypothetical protein 0.0042 0.0918 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0055 0.1446 0.1446
Plasmodium falciparum glycogen synthase kinase 3 0.0058 0.1591 1
Brugia malayi beta-lactamase family protein 0.0042 0.0918 0.2401
Leishmania major hypothetical protein, conserved 0.0042 0.0918 0.5773
Echinococcus multilocularis beta LACTamase domain containing family member 0.0042 0.0918 0.1282
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0019 0 0.5
Onchocerca volvulus 0.0042 0.0918 0.2877
Entamoeba histolytica protein kinase, putative 0.0058 0.1591 1
Echinococcus granulosus protein kinase shaggy 0.0058 0.1591 0.222
Echinococcus multilocularis geminin 0.0197 0.7165 1
Schistosoma mansoni serine/threonine protein kinase 0.0021 0.0088 0.0123
Schistosoma mansoni serine/threonine protein kinase 0.0134 0.4639 0.6475
Mycobacterium tuberculosis Conserved protein 0.0042 0.0918 0.0918
Trichomonas vaginalis AGC family protein kinase 0.0021 0.0088 0.0553
Echinococcus granulosus glycogen synthase kinase 3 beta 0.0058 0.1591 0.222
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0139 0.4845 0.4845
Trichomonas vaginalis D-aminoacylase, putative 0.0042 0.0918 0.5773
Plasmodium vivax glycogen synthase kinase 3, putative 0.0058 0.1591 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0035 0.0647 0.0903
Loa Loa (eye worm) hypothetical protein 0.0035 0.0647 0.1563
Echinococcus granulosus FTZ F1 alpha 0.0035 0.0647 0.0903
Brugia malayi Protein kinase domain containing protein 0.0021 0.0088 0.023
Loa Loa (eye worm) hypothetical protein 0.0035 0.0647 0.1563
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0035 0.0647 0.0903
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0035 0.0647 0.1563
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0035 0.0647 0.1563
Mycobacterium ulcerans beta-lactamase 0.0042 0.0918 1
Schistosoma mansoni serine/threonine protein kinase 0.0021 0.0088 0.0123
Trypanosoma cruzi hypothetical protein, conserved 0.0042 0.0918 0.5773
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0035 0.0647 0.1691
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0035 0.0647 0.1563
Mycobacterium tuberculosis Probable hydrolase 0.0042 0.0918 0.0918
Schistosoma mansoni serine/threonine kinase 0.0021 0.0088 0.0123
Plasmodium falciparum thioredoxin reductase 0.0055 0.1446 0.9092
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0035 0.0647 0.1691
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0042 0.0918 0.0918
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0035 0.0647 0.1691
Echinococcus granulosus protein kinase c epsilon type 0.0039 0.0799 0.1115
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0042 0.0918 0.1282
Trichomonas vaginalis serine/threonine-protein kinase sgk, putative 0.002 0.0048 0.0299
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0058 0.1591 0.4205
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0035 0.0647 0.1563
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0035 0.0647 0.1563
Entamoeba histolytica protein kinase domain containing protein 0.0058 0.1591 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.0918 0.2323
Toxoplasma gondii thioredoxin reductase 0.0055 0.1446 0.9092
Echinococcus granulosus ribosomal protein s6 kinase beta 1 0.0021 0.0088 0.0123
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0035 0.0647 0.1691
Plasmodium vivax thioredoxin reductase, putative 0.0055 0.1446 0.9092
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0035 0.0647 0.0903
Loa Loa (eye worm) hypothetical protein 0.0042 0.0918 0.2323
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0042 0.0918 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.031 uM Inhibitory concentration against rabbit glycogen synthase kinase-3 beta using protein phosphatase inhibitor-2 as substrate ChEMBL. 15149684
IC50 (binding) = 0.031 uM Inhibitory concentration against rabbit glycogen synthase kinase-3 beta using protein phosphatase inhibitor-2 as substrate ChEMBL. 15149684
IC50 (binding) = 0.27 uM Inhibitory concentration against human protein kinase C-betaII using histone as substrate ChEMBL. 15149684
IC50 (binding) = 0.27 uM Inhibitory concentration against human protein kinase C-betaII using histone as substrate ChEMBL. 15149684
IC50 (binding) = 3.6 uM Inhibitory concentration against protein kinase C-alpha using histone as substrate ChEMBL. 15149684
IC50 (binding) = 3.6 uM Inhibitory concentration against protein kinase C-alpha using histone as substrate ChEMBL. 15149684
Inhibition (binding) = 50 % Inhibitory activity of 10 uM compound against protein kinase C-gamma using histone as substrate ChEMBL. 15149684
Inhibition (binding) = 50 % Inhibitory activity of 10 uM compound against protein kinase C-gamma using histone as substrate ChEMBL. 15149684

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

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.