Detailed information for compound 927358

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 376.452 | Formula: C22H24N4O2
  • H donors: 1 H acceptors: 3 LogP: 3.56 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N1CCC(CC1)c1onc(n1)c1ccccc1C)NCc1ccccc1
  • InChi: 1S/C22H24N4O2/c1-16-7-5-6-10-19(16)20-24-21(28-25-20)18-11-13-26(14-12-18)22(27)23-15-17-8-3-2-4-9-17/h2-10,18H,11-15H2,1H3,(H,23,27)
  • InChiKey: NJKYPSCILCMXHW-UHFFFAOYSA-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
Onchocerca volvulus Pyruvate kinase homolog 0.0038 0.0276 0.0264
Loa Loa (eye worm) hypothetical protein 0.0034 0.0232 0.0675
Schistosoma mansoni intermediate filament proteins 0.0031 0.0196 0.218
Leishmania major phosphopantetheinyl transferase-like protein 0.0026 0.0151 0.3145
Entamoeba histolytica hypothetical protein 0.0026 0.0151 1
Echinococcus granulosus lamin dm0 0.0031 0.0196 0.0347
Mycobacterium ulcerans 4'-phosphopantetheinyl transferase 0.0026 0.0151 0.0183
Trypanosoma brucei PAB1-binding protein , putative 0.0029 0.0174 0.4398
Brugia malayi exodeoxyribonuclease III family protein 0.0021 0.0094 0.0171
Trichomonas vaginalis NAD dependent epimerase/dehydratase, putative 0.0244 0.2558 0.7864
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0052 0.0431 0.1294
Brugia malayi Intermediate filament tail domain containing protein 0.0031 0.0196 0.0491
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0236 0.2461 0.7617
Trypanosoma cruzi PAB1-binding protein , putative 0.0029 0.0174 0.4398
Plasmodium falciparum ataxin-2 like protein, putative 0.0029 0.0174 0.4979
Echinococcus granulosus pyruvate kinase 0.0038 0.0276 0.0489
Trichomonas vaginalis pyruvate kinase, putative 0.0038 0.0276 0.0581
Loa Loa (eye worm) pyruvate kinase 0.0038 0.0276 0.0811
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0026 0.0151 0.3857
Trichomonas vaginalis set domain proteins, putative 0.0268 0.2821 0.8705
Echinococcus multilocularis pyruvate kinase 0.0019 0.0073 0.0073
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0232 0.2582
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0232 0.2582
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0052 0.0431 0.1228
Echinococcus granulosus histone lysine methyltransferase setb 0.0034 0.0232 0.0411
Mycobacterium leprae dTDP-4-DEHYDRORHAMNOSE 3,5-EPIMERASE RMLC (dTDP-4-KETO-6-DEOXYGLUCOSE 3,5-EPIMERASE) (dTDP-L-RHAMNOSE SYNTHETASE) (THYMIDINE DIP 0.0305 0.3227 1
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0026 0.0151 0.0961
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0033 0.0218 0.0387
Trypanosoma cruzi PAB1-binding protein , putative 0.0029 0.0174 0.4398
Leishmania major pyruvate kinase 0.0038 0.0276 1
Echinococcus granulosus lamin 0.0031 0.0196 0.0347
Onchocerca volvulus Pyruvate kinase homolog 0.0038 0.0276 0.0264
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0094 0.0898 1
Mycobacterium ulcerans phosphopantetheinyl transferase, PptII 0.0026 0.0151 0.0183
Echinococcus granulosus muscleblind protein 0.0147 0.1479 0.2622
Echinococcus multilocularis neuropeptide s receptor 0.0524 0.5642 0.5642
Brugia malayi Pre-SET motif family protein 0.0034 0.0232 0.0604
Loa Loa (eye worm) hypothetical protein 0.0038 0.0276 0.0811
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0026 0.0151 0.3857
Echinococcus granulosus L aminoadipate semialdehyde 0.0094 0.0898 0.1592
Mycobacterium ulcerans dTDP-4-dehydrorhamnose 3,5-epimerase, RmlC 0.0305 0.3227 1
Trypanosoma brucei pyruvate kinase 1 0.0038 0.0276 1
Giardia lamblia Pyruvate kinase 0.0038 0.0276 1
Leishmania major pyruvate kinase 0.0038 0.0276 1
Trypanosoma cruzi pyruvate kinase 2, putative 0.0038 0.0276 1
Onchocerca volvulus Huntingtin homolog 0.0139 0.1391 0.3942
Loa Loa (eye worm) hypothetical protein 0.0015 0.0021 0.0019
Mycobacterium leprae Probable pyruvate kinase PykA 0.0038 0.0276 0.0406
Trypanosoma brucei hypothetical protein, conserved 0.0026 0.0151 0.3145
Echinococcus multilocularis lamin dm0 0.0031 0.0196 0.0196
Loa Loa (eye worm) hypothetical protein 0.0031 0.0196 0.0563
Plasmodium vivax pyruvate kinase, putative 0.0038 0.0276 1
Schistosoma mansoni lamin 0.0031 0.0196 0.218
Loa Loa (eye worm) pyruvate kinase 0.0038 0.0276 0.0811
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0052 0.0431 0.0431
Trichomonas vaginalis pyruvate kinase, putative 0.0038 0.0276 0.0581
Echinococcus granulosus pyruvate kinase 0.0019 0.0073 0.0129
Mycobacterium tuberculosis dTDP-4-dehydrorhamnose 3,5-epimerase RmlC (dTDP-4-keto-6-deoxyglucose 3,5-epimerase) (dTDP-L-rhamnose synthetase) (thymidine dip 0.0305 0.3227 1
Trichomonas vaginalis NAD dependent epimerase/dehydratase, putative 0.0136 0.1359 0.4037
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0034 0.0232 0.0232
Plasmodium vivax ataxin-2 like protein, putative 0.0029 0.0174 0.4979
Plasmodium vivax SET domain protein, putative 0.0034 0.0232 0.784
Echinococcus granulosus pyruvate kinase 0.0019 0.0073 0.0129
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0026 0.0151 0.3857
Echinococcus multilocularis neuropeptide receptor A26 0.0524 0.5642 0.5642
Onchocerca volvulus 0.0094 0.0898 0.2318
Onchocerca volvulus 0.0268 0.2821 0.8661
Trypanosoma brucei pyruvate kinase 1, putative 0.0038 0.0276 1
Toxoplasma gondii exonuclease III APE 0.0021 0.0094 0.1038
Echinococcus multilocularis L aminoadipate semialdehyde 0.0094 0.0898 0.0898
Chlamydia trachomatis pyruvate kinase 0.0038 0.0276 1
Leishmania major hypothetical protein, conserved 0.0029 0.0174 0.4398
Brugia malayi dTDP-4-dehydrorhamnose 3,5-epimerase 0.0305 0.3227 1
Onchocerca volvulus 0.0034 0.0232 0.0119
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0034 0.0232 0.784
Echinococcus multilocularis musashi 0.0031 0.0196 0.0196
Onchocerca volvulus Huntingtin homolog 0.0139 0.1391 0.3942
Wolbachia endosymbiont of Brugia malayi nucleoside-diphosphate-sugar epimerase 0.0075 0.069 1
Loa Loa (eye worm) hypothetical protein 0.0139 0.1391 0.4283
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0021 0.0094 0.0245
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0034 0.0232 0.0232
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0015 0.0021 0.0021
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.0431 0.4794
Onchocerca volvulus 0.0305 0.3227 1
Echinococcus multilocularis muscleblind protein 0.0147 0.1479 0.1479
Brugia malayi intermediate filament protein 0.0031 0.0196 0.0491
Schistosoma mansoni ap endonuclease 0.0021 0.0094 0.1044
Toxoplasma gondii LsmAD domain-containing protein 0.0029 0.0174 0.4979
Loa Loa (eye worm) hypothetical protein 0.0147 0.1479 0.4559
Echinococcus multilocularis pyruvate kinase 0.003 0.0188 0.0188
Echinococcus multilocularis pyruvate kinase 0.0038 0.0276 0.0276
Brugia malayi Pre-SET motif family protein 0.0236 0.2461 0.7599
Schistosoma mansoni lamin 0.0031 0.0196 0.218
Echinococcus granulosus pyruvate kinase 0.0038 0.0276 0.0489
Loa Loa (eye worm) hypothetical protein 0.0026 0.015 0.0418
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0015 0.0021 0.0038
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0094 0.1038
Loa Loa (eye worm) hypothetical protein 0.0029 0.0174 0.0494
Loa Loa (eye worm) pyruvate kinase 0.0038 0.0276 0.0811
Schistosoma mansoni pyruvate kinase 0.0019 0.0073 0.081
Loa Loa (eye worm) pyruvate kinase-PB 0.0026 0.015 0.0418
Brugia malayi Muscleblind-like protein 0.0147 0.1479 0.4518
Echinococcus multilocularis lamin 0.0031 0.0196 0.0196
Brugia malayi hypothetical protein 0.0029 0.0174 0.0422
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0094 0.0898 0.2695
Echinococcus granulosus neuropeptide s receptor 0.0524 0.5642 1
Trichomonas vaginalis DTDP-4-dehydrorhamnose 3,5-epimerase, putative 0.0305 0.3227 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0052 0.0431 0.0431
Entamoeba histolytica pyruvate kinase, putative 0.0026 0.015 0.974
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0021 0.0094 0.1038
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0026 0.0151 0.0183
Loa Loa (eye worm) dTDP-4-dehydrorhamnose 3,5-epimerase 0.0305 0.3227 1
Schistosoma mansoni pyruvate kinase 0.0038 0.0276 0.307
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0026 0.0151 1
Echinococcus granulosus neuropeptide receptor A26 0.0524 0.5642 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0052 0.0431 0.0763
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0232 0.2582
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0094 0.1038
Loa Loa (eye worm) hypothetical protein 0.0094 0.0898 0.275
Loa Loa (eye worm) hypothetical protein 0.003 0.019 0.0543
Mycobacterium leprae dTDP-6-deoxy-L-lyxo-4-hexulose reductase RmlD (dTDP-RHAMNOSE MODIFICATION PROTEIN) (dTDP-RHAMNOSE BIOSYNTHESIS PROTEIN) (dTDP-RH 0.0169 0.1727 0.5123
Echinococcus multilocularis pyruvate kinase 0.0019 0.0073 0.0073
Echinococcus multilocularis pyruvate kinase 0.0019 0.0073 0.0073
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0052 0.0431 0.0763
Brugia malayi Pyruvate kinase, muscle isozyme 0.0038 0.0276 0.0742
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0026 0.0151 0.3857
Onchocerca volvulus Pyruvate kinase homolog 0.0038 0.0276 0.0264
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0034 0.0232 0.2582
Mycobacterium ulcerans pyruvate kinase 0.0038 0.0276 0.0581
Mycobacterium tuberculosis dTDP-6-deoxy-L-lyxo-4-hexulose reductase RmlD (dTDP-rhamnose modification protein) (dTDP-rhamnose biosynthesis protein) (dTDP-rh 0.0244 0.2558 0.7864
Trichomonas vaginalis conserved hypothetical protein 0.0305 0.3227 1
Schistosoma mansoni pyruvate kinase 0.0038 0.0276 0.307
Brugia malayi hypothetical protein 0.0018 0.0062 0.0072
Loa Loa (eye worm) intermediate filament protein 0.0031 0.0196 0.0563
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0021 0.0094 0.0166
Brugia malayi hypothetical protein 0.0139 0.1391 0.424
Echinococcus granulosus intermediate filament protein 0.0031 0.0196 0.0347
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.0431 0.4794
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0021 0.0094 0.0094
Echinococcus granulosus pyruvate kinase 0.0019 0.0073 0.0129
Loa Loa (eye worm) hypothetical protein 0.0147 0.1479 0.4559
Echinococcus multilocularis pyruvate kinase 0.0038 0.0276 0.0276
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0016 0.0039 0.0075
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0031 0.0196 0.0563
Toxoplasma gondii pyruvate kinase PyK1 0.0038 0.0276 1
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0038 0.0276 0.0581
Echinococcus multilocularis muscleblind protein 1 0.0147 0.1479 0.1479
Brugia malayi Pyruvate kinase, M2 isozyme 0.0038 0.0276 0.0742
Loa Loa (eye worm) hypothetical protein 0.0139 0.1391 0.4283
Schistosoma mansoni ap endonuclease 0.0021 0.0094 0.1044
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.0431 0.4794
Trypanosoma cruzi pyruvate kinase 2, putative 0.0038 0.0276 1
Mycobacterium ulcerans dTDP-6-deoxy-L-lyxo-4-hexulose reductase RmlD 0.0244 0.2558 0.7864
Plasmodium falciparum ataxin-2 like protein, putative 0.0029 0.0174 0.4979
Plasmodium falciparum pyruvate kinase 0.0038 0.0276 1

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) = 12.3 uM Antiproliferative activity against human DU145 cells after 3 days by fluorescence assay ChEMBL. 25155551

Phenotypes

Whole-cell/tissue/organism interactions

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

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

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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