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
Trypanosoma brucei PAB1-binding protein , putative 0.0029 0.0174 0.4398
Brugia malayi dTDP-4-dehydrorhamnose 3,5-epimerase 0.0305 0.3227 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0052 0.0431 0.1294
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0026 0.0151 0.0961
Loa Loa (eye worm) hypothetical protein 0.0029 0.0174 0.0494
Onchocerca volvulus 0.0268 0.2821 0.8661
Loa Loa (eye worm) pyruvate kinase 0.0038 0.0276 0.0811
Echinococcus granulosus histone lysine methyltransferase setb 0.0034 0.0232 0.0411
Echinococcus granulosus L aminoadipate semialdehyde 0.0094 0.0898 0.1592
Trypanosoma brucei pyruvate kinase 1, putative 0.0038 0.0276 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0021 0.0094 0.0245
Onchocerca volvulus Pyruvate kinase homolog 0.0038 0.0276 0.0264
Loa Loa (eye worm) hypothetical protein 0.0015 0.0021 0.0019
Loa Loa (eye worm) hypothetical protein 0.0031 0.0196 0.0563
Onchocerca volvulus Huntingtin homolog 0.0139 0.1391 0.3942
Schistosoma mansoni pyruvate kinase 0.0038 0.0276 0.307
Echinococcus granulosus pyruvate kinase 0.0038 0.0276 0.0489
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0236 0.2461 0.7617
Brugia malayi hypothetical protein 0.0018 0.0062 0.0072
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0021 0.0094 0.1038
Plasmodium falciparum ataxin-2 like protein, putative 0.0029 0.0174 0.4979
Onchocerca volvulus 0.0034 0.0232 0.0119
Leishmania major pyruvate kinase 0.0038 0.0276 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0029 0.0174 0.4398
Echinococcus multilocularis pyruvate kinase 0.0038 0.0276 0.0276
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0052 0.0431 0.0431
Trypanosoma brucei hypothetical protein, conserved 0.0026 0.0151 0.3145
Onchocerca volvulus 0.0094 0.0898 0.2318
Echinococcus multilocularis musashi 0.0031 0.0196 0.0196
Brugia malayi hypothetical protein 0.0029 0.0174 0.0422
Brugia malayi Pyruvate kinase, M2 isozyme 0.0038 0.0276 0.0742
Trypanosoma cruzi pyruvate kinase 2, putative 0.0038 0.0276 1
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
Loa Loa (eye worm) dTDP-4-dehydrorhamnose 3,5-epimerase 0.0305 0.3227 1
Trichomonas vaginalis pyruvate kinase, putative 0.0038 0.0276 0.0581
Echinococcus multilocularis pyruvate kinase 0.0019 0.0073 0.0073
Onchocerca volvulus Huntingtin homolog 0.0139 0.1391 0.3942
Echinococcus multilocularis muscleblind protein 0.0147 0.1479 0.1479
Loa Loa (eye worm) hypothetical protein 0.003 0.019 0.0543
Mycobacterium ulcerans dTDP-4-dehydrorhamnose 3,5-epimerase, RmlC 0.0305 0.3227 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.0431 0.4794
Echinococcus granulosus pyruvate kinase 0.0019 0.0073 0.0129
Loa Loa (eye worm) hypothetical protein 0.0147 0.1479 0.4559
Echinococcus granulosus pyruvate kinase 0.0019 0.0073 0.0129
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0232 0.2582
Onchocerca volvulus Pyruvate kinase homolog 0.0038 0.0276 0.0264
Echinococcus multilocularis neuropeptide s receptor 0.0524 0.5642 0.5642
Brugia malayi intermediate filament protein 0.0031 0.0196 0.0491
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0034 0.0232 0.0232
Echinococcus granulosus intermediate filament protein 0.0031 0.0196 0.0347
Echinococcus granulosus lamin dm0 0.0031 0.0196 0.0347
Schistosoma mansoni ap endonuclease 0.0021 0.0094 0.1044
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0094 0.1038
Loa Loa (eye worm) hypothetical protein 0.0147 0.1479 0.4559
Echinococcus granulosus neuropeptide receptor A26 0.0524 0.5642 1
Leishmania major hypothetical protein, conserved 0.0029 0.0174 0.4398
Echinococcus multilocularis lamin dm0 0.0031 0.0196 0.0196
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0031 0.0196 0.0563
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0026 0.0151 0.3857
Echinococcus multilocularis neuropeptide receptor A26 0.0524 0.5642 0.5642
Mycobacterium ulcerans pyruvate kinase 0.0038 0.0276 0.0581
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0094 0.1038
Mycobacterium ulcerans phosphopantetheinyl transferase, PptII 0.0026 0.0151 0.0183
Plasmodium vivax pyruvate kinase, putative 0.0038 0.0276 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0034 0.0232 0.2582
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0026 0.0151 1
Trichomonas vaginalis NAD dependent epimerase/dehydratase, putative 0.0244 0.2558 0.7864
Trichomonas vaginalis conserved hypothetical protein 0.0305 0.3227 1
Loa Loa (eye worm) hypothetical protein 0.0094 0.0898 0.275
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0232 0.2582
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 0.003 0.0188 0.0188
Loa Loa (eye worm) pyruvate kinase 0.0038 0.0276 0.0811
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0021 0.0094 0.0166
Mycobacterium ulcerans 4'-phosphopantetheinyl transferase 0.0026 0.0151 0.0183
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0034 0.0232 0.784
Loa Loa (eye worm) hypothetical protein 0.0139 0.1391 0.4283
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0026 0.0151 0.3857
Echinococcus multilocularis lamin 0.0031 0.0196 0.0196
Loa Loa (eye worm) hypothetical protein 0.0034 0.0232 0.0675
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0015 0.0021 0.0038
Toxoplasma gondii pyruvate kinase PyK1 0.0038 0.0276 1
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
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.0431 0.4794
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0232 0.2582
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0052 0.0431 0.0763
Entamoeba histolytica hypothetical protein 0.0026 0.0151 1
Trypanosoma brucei pyruvate kinase 1 0.0038 0.0276 1
Schistosoma mansoni lamin 0.0031 0.0196 0.218
Echinococcus multilocularis pyruvate kinase 0.0038 0.0276 0.0276
Echinococcus granulosus lamin 0.0031 0.0196 0.0347
Brugia malayi Muscleblind-like protein 0.0147 0.1479 0.4518
Schistosoma mansoni ap endonuclease 0.0021 0.0094 0.1044
Plasmodium falciparum ataxin-2 like protein, putative 0.0029 0.0174 0.4979
Loa Loa (eye worm) hypothetical protein 0.0038 0.0276 0.0811
Schistosoma mansoni pyruvate kinase 0.0019 0.0073 0.081
Trichomonas vaginalis set domain proteins, putative 0.0268 0.2821 0.8705
Onchocerca volvulus 0.0305 0.3227 1
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0016 0.0039 0.0075
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0015 0.0021 0.0021
Echinococcus granulosus neuropeptide s receptor 0.0524 0.5642 1
Leishmania major pyruvate kinase 0.0038 0.0276 1
Giardia lamblia Pyruvate kinase 0.0038 0.0276 1
Onchocerca volvulus Pyruvate kinase homolog 0.0038 0.0276 0.0264
Trichomonas vaginalis NAD dependent epimerase/dehydratase, putative 0.0136 0.1359 0.4037
Echinococcus granulosus muscleblind protein 0.0147 0.1479 0.2622
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0026 0.0151 0.3857
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0094 0.0898 1
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0038 0.0276 0.0581
Echinococcus multilocularis pyruvate kinase 0.0019 0.0073 0.0073
Loa Loa (eye worm) pyruvate kinase 0.0038 0.0276 0.0811
Echinococcus granulosus pyruvate kinase 0.0038 0.0276 0.0489
Schistosoma mansoni lamin 0.0031 0.0196 0.218
Entamoeba histolytica pyruvate kinase, putative 0.0026 0.015 0.974
Echinococcus multilocularis L aminoadipate semialdehyde 0.0094 0.0898 0.0898
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
Echinococcus granulosus pyruvate kinase 0.0019 0.0073 0.0129
Brugia malayi Pyruvate kinase, muscle isozyme 0.0038 0.0276 0.0742
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.0431 0.4794
Chlamydia trachomatis pyruvate kinase 0.0038 0.0276 1
Brugia malayi Pre-SET motif family protein 0.0034 0.0232 0.0604
Brugia malayi exodeoxyribonuclease III family protein 0.0021 0.0094 0.0171
Trichomonas vaginalis pyruvate kinase, putative 0.0038 0.0276 0.0581
Plasmodium falciparum pyruvate kinase 0.0038 0.0276 1
Brugia malayi Pre-SET motif family protein 0.0236 0.2461 0.7599
Brugia malayi Intermediate filament tail domain containing protein 0.0031 0.0196 0.0491
Mycobacterium ulcerans dTDP-6-deoxy-L-lyxo-4-hexulose reductase RmlD 0.0244 0.2558 0.7864
Trypanosoma cruzi PAB1-binding protein , putative 0.0029 0.0174 0.4398
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0094 0.0898 0.2695
Echinococcus multilocularis pyruvate kinase 0.0019 0.0073 0.0073
Schistosoma mansoni pyruvate kinase 0.0038 0.0276 0.307
Plasmodium vivax SET domain protein, putative 0.0034 0.0232 0.784
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
Loa Loa (eye worm) hypothetical protein 0.0026 0.015 0.0418
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0052 0.0431 0.0763
Brugia malayi hypothetical protein 0.0139 0.1391 0.424
Trypanosoma cruzi pyruvate kinase 2, putative 0.0038 0.0276 1
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0026 0.0151 0.3857
Loa Loa (eye worm) hypothetical protein 0.0139 0.1391 0.4283
Mycobacterium leprae Probable pyruvate kinase PykA 0.0038 0.0276 0.0406
Schistosoma mansoni intermediate filament proteins 0.0031 0.0196 0.218
Echinococcus multilocularis muscleblind protein 1 0.0147 0.1479 0.1479
Toxoplasma gondii exonuclease III APE 0.0021 0.0094 0.1038
Trichomonas vaginalis DTDP-4-dehydrorhamnose 3,5-epimerase, putative 0.0305 0.3227 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0034 0.0232 0.0232
Loa Loa (eye worm) pyruvate kinase-PB 0.0026 0.015 0.0418
Toxoplasma gondii LsmAD domain-containing protein 0.0029 0.0174 0.4979
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0021 0.0094 0.0094
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0033 0.0218 0.0387
Plasmodium vivax ataxin-2 like protein, putative 0.0029 0.0174 0.4979
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0052 0.0431 0.1228
Loa Loa (eye worm) intermediate filament protein 0.0031 0.0196 0.0563
Leishmania major phosphopantetheinyl transferase-like protein 0.0026 0.0151 0.3145
Wolbachia endosymbiont of Brugia malayi nucleoside-diphosphate-sugar epimerase 0.0075 0.069 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0052 0.0431 0.0431

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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