Detailed information for compound 1454981

Basic information

Technical information
  • TDR Targets ID: 1454981
  • Name: T5333837
  • MW: 434.531 | Formula: C25H30N4O3
  • H donors: 1 H acceptors: 3 LogP: 2.34 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N1CCN(CC1)c1ccc(cc1)C(=O)C)C1CCN(CC1)C(=O)Nc1ccccc1
  • InChi: 1S/C25H30N4O3/c1-19(30)20-7-9-23(10-8-20)27-15-17-28(18-16-27)24(31)21-11-13-29(14-12-21)25(32)26-22-5-3-2-4-6-22/h2-10,21H,11-18H2,1H3,(H,26,32)
  • InChiKey: VHIBPFXDGKZDLQ-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 cruzi hypothetical protein, conserved 0.0037 0.0048 1
Echinococcus granulosus sterol regulatory element binding protein 0.0043 0.0067 0.0208
Onchocerca volvulus 0.0027 0.0022 0.0705
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0043 0.0068 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0037 0.0048 0.015
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0022 0.0067
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.012 0.0292 0.0906
Schistosoma mansoni hypothetical protein 0.0041 0.0062 0.0194
Mycobacterium leprae RECA PROTEIN (RECOMBINASE A) [CONTAINS: Mle RECA INTEIN]. 0.011 0.0262 0.0652
Onchocerca volvulus Peroxidasin homolog 0.0027 0.002 0.0639
Brugia malayi hypothetical protein 0.0125 0.0305 0.0948
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0147 0.0372 0.1155
Schistosoma mansoni hypothetical protein 0.0172 0.0444 0.1381
Echinococcus multilocularis microtubule associated protein 2 0.0701 0.199 0.6182
Brugia malayi Animal haem peroxidase family protein 0.0027 0.002 0.0061
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0037 0.0048 0.015
Schistosoma mansoni hypothetical protein 0.0041 0.0062 0.0194
Schistosoma mansoni hypothetical protein 0.0041 0.0062 0.0194
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0297 0.0809 1
Schistosoma mansoni lamin 0.0027 0.0022 0.0067
Loa Loa (eye worm) hypothetical protein 0.0027 0.002 0.0062
Loa Loa (eye worm) hypothetical protein 0.0027 0.002 0.0061
Mycobacterium ulcerans recombinase A 0.011 0.0262 0.2052
Loa Loa (eye worm) hypothetical protein 0.0027 0.002 0.0061
Loa Loa (eye worm) hypothetical protein 0.0027 0.002 0.0061
Echinococcus multilocularis sterol regulatory element binding protein 0.0043 0.0067 0.0208
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0234 0.0624 0.0579
Brugia malayi hypothetical protein 0.0037 0.0048 0.015
Brugia malayi hypothetical protein 0.0027 0.002 0.0061
Echinococcus multilocularis protein dispatched 1 0.0049 0.0085 0.0263
Schistosoma mansoni hypothetical protein 0.1122 0.3218 1
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0043 0.0068 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.0143 0.036 0.1117
Echinococcus multilocularis muscleblind protein 0.0152 0.0385 0.1196
Echinococcus multilocularis geminin 0.0172 0.0444 0.1381
Echinococcus multilocularis indoleamine 2,3 dioxygenase 2 0.1122 0.3218 1
Schistosoma mansoni Replicative DNA helicase 0.0393 0.1088 0.3382
Echinococcus granulosus lamin dm0 0.0027 0.0022 0.0067
Schistosoma mansoni lipoxygenase 0.012 0.0292 0.0906
Onchocerca volvulus 0.0037 0.0048 0.1584
Loa Loa (eye worm) hypothetical protein 0.0027 0.002 0.0061
Mycobacterium leprae PROBABLE REPLICATIVE DNA HELICASE DNAB replicative DNA helicase 0.0393 0.1088 0.3176
Loa Loa (eye worm) hypothetical protein 0.0027 0.002 0.0061
Echinococcus multilocularis lamin dm0 0.0027 0.0022 0.0067
Echinococcus multilocularis beta LACTamase domain containing family member 0.0037 0.0048 0.015
Loa Loa (eye worm) hypothetical protein 0.0027 0.002 0.0061
Loa Loa (eye worm) transcription factor SMAD2 0.0121 0.0296 0.0919
Onchocerca volvulus Huntingtin homolog 0.0125 0.0305 1
Echinococcus granulosus peroxidasin 0.0027 0.002 0.0061
Chlamydia trachomatis replicative DNA helicase 0.0393 0.1088 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0048 0.015
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0145 0.0365 0.0318
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.0048 0.015
Loa Loa (eye worm) hypothetical protein 0.0035 0.0043 0.0132
Plasmodium vivax hypothetical protein, conserved 0.0037 0.0048 0.711
Loa Loa (eye worm) hypothetical protein 0.0037 0.0048 0.015
Onchocerca volvulus 0.0037 0.0048 0.1584
Echinococcus granulosus arachidonate 5 lipoxygenase 0.012 0.0292 0.0906
Loa Loa (eye worm) hypothetical protein 0.0027 0.002 0.0061
Loa Loa (eye worm) hypothetical protein 0.0027 0.002 0.0061
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0043 0.0068 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.002 0.0061
Brugia malayi beta-lactamase 0.0037 0.0048 0.015
Loa Loa (eye worm) hypothetical protein 0.0027 0.002 0.0061
Onchocerca volvulus Huntingtin homolog 0.0125 0.0305 1
Echinococcus granulosus geminin 0.0172 0.0444 0.1381
Schistosoma mansoni microtubule-associated protein tau 0.0701 0.199 0.6182
Loa Loa (eye worm) hypothetical protein 0.0037 0.0048 0.015
Loa Loa (eye worm) hypothetical protein 0.0053 0.0095 0.0295
Echinococcus multilocularis Niemann Pick C1 protein 0.01 0.0234 0.0726
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.0089 0.0278
Loa Loa (eye worm) hypothetical protein 0.0027 0.002 0.0061
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.0048 0.015
Echinococcus multilocularis muscleblind protein 1 0.0152 0.0385 0.1196
Echinococcus multilocularis expressed conserved protein 0.0094 0.0216 0.0671
Schistosoma mansoni lipoxygenase 0.0084 0.0186 0.0579
Plasmodium falciparum histone acetyltransferase GCN5 0.004 0.0057 1
Trichomonas vaginalis bromodomain-containing protein, putative 0.0043 0.0068 0.0258
Mycobacterium leprae Conserved hypothetical protein 0.1158 0.3323 1
Giardia lamblia Fructose-bisphosphate aldolase 0.0297 0.0809 1
Brugia malayi beta-lactamase family protein 0.0037 0.0048 0.015
Echinococcus granulosus Niemann Pick C1 protein 0.0143 0.0359 0.1116
Loa Loa (eye worm) indoleamine 2,3-dioxygenase 0.1122 0.3218 1
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0043 0.0067 0.0208
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0067 0.0244
Loa Loa (eye worm) acetyltransferase 0.0147 0.0372 0.1155
Echinococcus granulosus histone acetyltransferase KAT2B 0.0043 0.0068 0.0211
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0048 0.015
Loa Loa (eye worm) hypothetical protein 0.0125 0.0305 0.0948
Loa Loa (eye worm) hypothetical protein 0.0037 0.0048 0.015
Loa Loa (eye worm) animal heme peroxidase 0.0027 0.002 0.0061
Mycobacterium ulcerans replicative DNA helicase DnaB 0.0393 0.1088 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.002 0.0061
Schistosoma mansoni peroxidasin 0.0027 0.002 0.0061
Brugia malayi CHE-14 protein 0.0043 0.0067 0.0208
Loa Loa (eye worm) hypothetical protein 0.0027 0.0022 0.0067
Wolbachia endosymbiont of Brugia malayi replicative DNA helicase 0.0393 0.1088 1
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0824 0.2348 0.7296
Loa Loa (eye worm) hypothetical protein 0.0125 0.0305 0.0948
Loa Loa (eye worm) hypothetical protein 0.0043 0.0067 0.0208
Onchocerca volvulus 0.0027 0.0022 0.0705
Echinococcus granulosus Protein patched homolog 1 0.0043 0.0067 0.0208
Echinococcus multilocularis Niemann Pick C1 protein 0.0143 0.0359 0.1116
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0297 0.0809 1
Schistosoma mansoni peroxidasin 0.0027 0.002 0.0061
Brugia malayi acetyltransferase, GNAT family protein 0.0147 0.0372 0.1155
Schistosoma mansoni hypothetical protein 0.0041 0.0062 0.0194
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0022 0.0067
Loa Loa (eye worm) animal heme peroxidase 0.0027 0.002 0.0061
Loa Loa (eye worm) hypothetical protein 0.0051 0.0089 0.0278
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0022 0.0067
Onchocerca volvulus Peroxidase homolog 0.0027 0.002 0.0639
Loa Loa (eye worm) hypothetical protein 0.0152 0.0385 0.1196
Brugia malayi Peroxidasin 0.0027 0.002 0.0061
Brugia malayi Blistered cuticle protein 3 0.0027 0.002 0.0061
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.01 0.0234 0.2438
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0048 0.015
Loa Loa (eye worm) animal heme peroxidase 0.0027 0.002 0.0061
Echinococcus multilocularis musashi 0.0027 0.0022 0.0067
Schistosoma mansoni patched 1 0.0043 0.0067 0.0208
Loa Loa (eye worm) hypothetical protein 0.0037 0.0048 0.015
Onchocerca volvulus 0.0027 0.002 0.0639
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0297 0.0809 1
Echinococcus granulosus muscleblind protein 0.0152 0.0385 0.1196
Loa Loa (eye worm) hypothetical protein 0.0027 0.002 0.0061
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.0089 0.0278
Loa Loa (eye worm) animal heme peroxidase 0.0027 0.002 0.0061
Onchocerca volvulus Dual oxidase homolog 0.0027 0.002 0.0639
Treponema pallidum replicative DNA helicase (dnaB) 0.0393 0.1088 1
Brugia malayi Animal haem peroxidase family protein 0.0027 0.002 0.0061
Leishmania major hypothetical protein, conserved 0.0037 0.0048 0.5
Echinococcus granulosus expressed conserved protein 0.0094 0.0216 0.0671
Treponema pallidum fructose-bisphosphate aldolase 0.0297 0.0809 0.6619
Echinococcus granulosus Niemann Pick C1 protein 0.01 0.0234 0.0726
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0297 0.0809 1
Brugia malayi Animal haem peroxidase family protein 0.0027 0.002 0.0061
Loa Loa (eye worm) hypothetical protein 0.0152 0.0385 0.1196
Loa Loa (eye worm) hypothetical protein 0.01 0.0234 0.0726
Brugia malayi Animal haem peroxidase family protein 0.0027 0.002 0.0061
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0297 0.0809 1
Onchocerca volvulus Peroxidasin homolog 0.0027 0.002 0.0639
Loa Loa (eye worm) hypothetical protein 0.0027 0.002 0.0061
Loa Loa (eye worm) twinkle helicase 0.0112 0.0269 0.0836
Schistosoma mansoni lamin 0.0027 0.0022 0.0067
Echinococcus multilocularis protein patched 0.0043 0.0067 0.0208
Onchocerca volvulus Peroxidase homolog 0.0027 0.002 0.0639
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0102 0.0238 0.074
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0297 0.0809 1
Entamoeba histolytica acetyltransferase, GNAT family 0.004 0.0057 0.0121
Schistosoma mansoni hypothetical protein 0.0037 0.0048 0.015
Loa Loa (eye worm) MH2 domain-containing protein 0.0121 0.0296 0.0919
Echinococcus granulosus intermediate filament protein 0.0027 0.0022 0.0067
Loa Loa (eye worm) blistered cuticle protein 3 0.0027 0.002 0.0061
Trypanosoma brucei hypothetical protein, conserved 0.0037 0.0048 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0297 0.0809 1
Brugia malayi beta-lactamase family protein 0.0037 0.0048 0.015
Onchocerca volvulus 0.0037 0.0048 0.1584
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0297 0.0809 1
Brugia malayi Niemann-Pick C1 protein precursor 0.01 0.0234 0.0726
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0043 0.0068 0.0258
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0147 0.0372 0.1155
Echinococcus granulosus indoleamine 23 dioxygenase 2 0.1122 0.3218 1
Onchocerca volvulus 0.0027 0.002 0.0639
Brugia malayi intermediate filament protein 0.0027 0.0022 0.0067
Brugia malayi Muscleblind-like protein 0.0152 0.0385 0.1196
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0297 0.0809 1
Echinococcus granulosus lamin 0.0027 0.0022 0.0067
Brugia malayi Animal haem peroxidase family protein 0.0027 0.002 0.0061
Echinococcus granulosus microtubule associated protein 2 0.0701 0.199 0.6182
Loa Loa (eye worm) beta-lactamase 0.0037 0.0048 0.015
Echinococcus multilocularis peroxidasin 0.0027 0.002 0.0061
Schistosoma mansoni hypothetical protein 0.0035 0.0043 0.0132
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.0048 0.015
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.0089 0.0278
Schistosoma mansoni intermediate filament proteins 0.0027 0.0022 0.0067
Mycobacterium tuberculosis RecA protein (recombinase A) [contains: endonuclease PI-MTUI (MTU RecA intein)]. 0.3162 0.9173 0.9169
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0145 0.0365 0.0968
Schistosoma mansoni hypothetical protein 0.1122 0.3218 1
Brugia malayi indoleamine 2,3-dioxygenase 0.1122 0.3218 1
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0145 0.0365 0.3047
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0297 0.0809 1
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0043 0.0132
Loa Loa (eye worm) hypothetical protein 0.0037 0.0048 0.015
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0048 1
Schistosoma mansoni hypothetical protein 0.0172 0.0444 0.1381
Onchocerca volvulus Chorion peroxidase homolog 0.0027 0.002 0.0639
Echinococcus multilocularis lamin 0.0027 0.0022 0.0067
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0037 0.0048 0.015
Brugia malayi MH2 domain containing protein 0.0121 0.0296 0.0919
Onchocerca volvulus 0.0027 0.002 0.0639

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 5.2213 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) 11.6891 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] 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.
 
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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