Detailed information for compound 1499521

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 352.387 | Formula: C19H20N4O3
  • H donors: 2 H acceptors: 3 LogP: 2.06 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: NCc1c(C)nc(cc1c1ccc(cc1)OC)C(=O)Nc1noc(c1)C
  • InChi: 1S/C19H20N4O3/c1-11-8-18(23-26-11)22-19(24)17-9-15(16(10-20)12(2)21-17)13-4-6-14(25-3)7-5-13/h4-9H,10,20H2,1-3H3,(H,22,23,24)
  • InChiKey: QMHDAHSSZRQLPQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

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
Trichomonas vaginalis set domain proteins, putative 0.0465 0.8458 0.8447
Echinococcus granulosus fetal alzheimer antigen falz 0.0022 0.0099 0.0154
Entamoeba histolytica fatty acid elongase, putative 0.004 0.0429 1
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0018 0.0011 0.0017
Entamoeba histolytica hypothetical protein 0.0027 0.0192 0.3364
Schistosoma mansoni jumonji domain containing protein 0.0059 0.0796 0.0796
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0022 0.0099 0.0099
Brugia malayi latrophilin 2 splice variant baaae 0.0038 0.0392 0.0392
Trichomonas vaginalis importin beta-1, putative 0.0027 0.0192 0.0121
Leishmania major hypothetical protein, conserved 0.0025 0.0157 0.1181
Loa Loa (eye worm) bromodomain containing protein 0.0018 0.0008 0.0008
Schistosoma mansoni jumonji/arid domain-containing protein 0.0061 0.0832 0.0832
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0025 0.0144 0.0224
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0059 0.0784 0.0784
Loa Loa (eye worm) hypothetical protein 0.0038 0.0392 0.0392
Chlamydia trachomatis oxoacyl-ACP synthase III 0.0306 0.547 0.5
Brugia malayi Importin beta-1 subunit 0.0034 0.0312 0.0312
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.079 0.0724
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0055 0.0723 0.0723
Loa Loa (eye worm) hypothetical protein 0.0042 0.0476 0.0476
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0025 0.0144 0.0135
Loa Loa (eye worm) hypothetical protein 0.0075 0.1103 0.1103
Loa Loa (eye worm) latrophilin receptor protein 2 0.0018 0.0008 0.0008
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0021 0.0072 0.0072
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.0306 0.547 0.5438
Loa Loa (eye worm) hypothetical protein 0.0025 0.0157 0.0157
Schistosoma mansoni hypothetical protein 0.0018 0.0008 0.0008
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0058 0.0768 0.0768
Brugia malayi PHD-finger family protein 0.0025 0.0144 0.0144
Loa Loa (eye worm) hypothetical protein 0.015 0.2509 0.2509
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0075 0.1103 0.1103
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0059 0.079 0.1331
Brugia malayi Bromodomain containing protein 0.0038 0.0395 0.0395
Echinococcus granulosus GTP binding nuclear protein Ran 0.0025 0.0144 0.0224
Onchocerca volvulus 0.0465 0.8458 1
Echinococcus granulosus lysine specific demethylase 5A 0.0061 0.0832 0.1288
Brugia malayi hypothetical protein 0.015 0.2509 0.2509
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0059 0.0784 0.991
Plasmodium falciparum importin beta, putative 0.0034 0.0312 0.0445
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0056 0.0743 0.115
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0058 0.0768 0.0768
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0018 0.0008 0.0012
Loa Loa (eye worm) glutaminase 0.0546 1 1
Echinococcus granulosus zinc finger protein 0.0019 0.0044 0.0068
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0018 0.0011 0.0017
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0408 0.7392 0.7392
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0058 0.0768 0.0702
Schistosoma mansoni bromodomain containing protein 0.0063 0.0863 0.0863
Echinococcus granulosus geminin 0.0188 0.3233 0.5007
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0025 0.0144 0.0135
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0058 0.0768 0.0702
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0075 0.1103 0.1708
Loa Loa (eye worm) hypothetical protein 0.007 0.1002 0.1002
Loa Loa (eye worm) PHD-finger family protein 0.002 0.0064 0.0064
Echinococcus multilocularis snurportin 1 0.0359 0.6457 1
Entamoeba histolytica Ran family GTPase 0.0025 0.0144 0.2034
Plasmodium vivax importin-beta 2, putative 0.0034 0.0312 0.0445
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0018 0.0008 0.0012
Toxoplasma gondii aldehyde dehydrogenase 0.0059 0.079 1
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0059 0.0796 0.1232
Schistosoma mansoni ap endonuclease 0.0021 0.0072 0.0072
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0059 0.0796 0.1232
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0059 0.079 0.1224
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0058 0.0768 0.119
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0018 0.0008 0.0008
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0025 0.0144 0.6047
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0059 0.0796 0.1232
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0157 0.0157
Entamoeba histolytica fatty acid elongase, putative 0.004 0.0429 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0061 0.0832 0.0832
Onchocerca volvulus 0.015 0.2509 0.2966
Brugia malayi hypothetical protein 0.0025 0.0157 0.0157
Echinococcus granulosus importin subunit beta 1 0.0034 0.0312 0.0483
Schistosoma mansoni zinc finger protein 0.0019 0.0044 0.0044
Schistosoma mansoni hypothetical protein 0.0052 0.0661 0.0661
Brugia malayi jmjC domain containing protein 0.0059 0.0796 0.0796
Schistosoma mansoni hypothetical protein 0.0038 0.0392 0.0392
Echinococcus multilocularis geminin 0.0188 0.3233 0.5007
Trypanosoma brucei importin beta-1 subunit, putative 0.0034 0.0312 1
Plasmodium vivax SET domain protein, putative 0.0059 0.0784 0.1319
Onchocerca volvulus 0.0059 0.0784 0.0926
Loa Loa (eye worm) hypothetical protein 0.0034 0.0312 0.0312
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0021 0.0072 0.0111
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0157 0.7049
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.079 0.079
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0022 0.0099 0.0154
Mycobacterium tuberculosis 3-oxoacyl-[acyl-carrier-protein] synthase III FabH (beta-ketoacyl-ACP synthase III) (KAS III) 0.0306 0.547 1
Trypanosoma brucei importin beta-1 subunit, putative 0.0034 0.0312 1
Leishmania major GTP-binding protein, putative 0.0025 0.0144 0.1013
Brugia malayi glutaminase DH11.1 0.0546 1 1
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0157 0.1181
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0025 0.0144 0.6047
Schistosoma mansoni glutaminase 0.0546 1 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0157 0.7049
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.079 0.0724
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0036 0.035 0.0543
Loa Loa (eye worm) jmjC domain-containing protein 0.0061 0.0832 0.0832
Loa Loa (eye worm) hypothetical protein 0.004 0.044 0.044
Brugia malayi Pre-SET motif family protein 0.0408 0.7392 0.7392
Plasmodium falciparum beta-ketoacyl-ACP synthase III 0.0306 0.547 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0157 0.0157
Brugia malayi Pre-SET motif family protein 0.0059 0.0784 0.0784
Schistosoma mansoni hypothetical protein 0.0018 0.0008 0.0008
Entamoeba histolytica fatty acid elongase, putative 0.004 0.0429 1
Trichomonas vaginalis ran, putative 0.0025 0.0144 0.0073
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0059 0.0796 0.1232
Treponema pallidum exodeoxyribonuclease (exoA) 0.0021 0.0072 0.5
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0027 0.0192 0.0121
Mycobacterium ulcerans beta-ketoacyl synthase-like protein 0.0306 0.547 0.5438
Brugia malayi exodeoxyribonuclease III family protein 0.0021 0.0072 0.0072
Schistosoma mansoni hypothetical protein 0.0018 0.0008 0.0008
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0059 0.0784 0.1214
Schistosoma mansoni hypothetical protein 0.002 0.0064 0.0064
Brugia malayi jmjC domain containing protein 0.0061 0.0832 0.0832
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0359 0.6457 0.6457
Trypanosoma cruzi importin beta-1 subunit, putative 0.0027 0.0192 1
Schistosoma mansoni hypothetical protein 0.0188 0.3233 0.3233
Brugia malayi RNA, U transporter 1 0.0096 0.1483 0.1483
Trichomonas vaginalis glutaminase, putative 0.0546 1 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.079 0.0724
Leishmania major importin beta-1 subunit, putative 0.0027 0.0192 0.1675
Loa Loa (eye worm) hypothetical protein 0.0038 0.0396 0.0396
Entamoeba histolytica fatty acid elongase, putative 0.004 0.0429 1
Schistosoma mansoni ap endonuclease 0.0021 0.0072 0.0072
Schistosoma mansoni hypothetical protein 0.0188 0.3233 0.3233
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0025 0.0144 1
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.0306 0.547 0.5438
Toxoplasma gondii HEAT repeat-containing protein 0.0034 0.0312 0.3347
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0021 0.0072 0.0111
Echinococcus multilocularis importin subunit beta 1 0.0034 0.0312 0.0483
Loa Loa (eye worm) hypothetical protein 0.0018 0.0008 0.0008
Echinococcus multilocularis zinc finger protein 0.0019 0.0044 0.0068
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0157 0.0157
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0059 0.079 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0055 0.0723 0.0723
Plasmodium vivax beta-ketoacyl-acyl carrier protein synthase III precursor, putative 0.0306 0.547 1
Echinococcus multilocularis GPCR, family 2 0.0018 0.0008 0.0012
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0027 0.0192 0.0121
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0055 0.0723 0.0723
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0054 0.0695 0.0695
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0025 0.0144 0.0144
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0036 0.035 0.0543
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0025 0.0144 0.3026
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0058 0.0768 0.119
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0075 0.1103 0.1103
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0025 0.0144 0.0144
Brugia malayi Latrophilin receptor protein 2 0.0018 0.0008 0.0008
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0058 0.0768 0.9697
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0059 0.0784 0.0784
Schistosoma mansoni hypothetical protein 0.0359 0.6457 0.6457
Wolbachia endosymbiont of Brugia malayi 3-oxoacyl-ACP synthase 0.0306 0.547 1
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0058 0.0768 0.129
Mycobacterium ulcerans glutaminase 0.0546 1 1
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0025 0.0144 0.1013
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0018 0.0008 0.0012
Echinococcus granulosus snurportin 1 0.0359 0.6457 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0059 0.079 0.1224
Entamoeba histolytica fatty acid elongase, putative 0.004 0.0429 1
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.079 0.079
Schistosoma mansoni ran 0.0025 0.0144 0.0144
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0157 0.3527
Echinococcus granulosus GPCR family 2 0.0018 0.0008 0.0012
Schistosoma mansoni ran 0.0025 0.0144 0.0144
Loa Loa (eye worm) hypothetical protein 0.0055 0.0723 0.0723
Schistosoma mansoni hypothetical protein 0.0018 0.0008 0.0008
Brugia malayi Bromodomain containing protein 0.0074 0.1082 0.1082
Echinococcus multilocularis lysine specific demethylase 5A 0.0059 0.0796 0.1232
Echinococcus granulosus histone lysine methyltransferase setb 0.0075 0.1103 0.1708
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0018 0.0008 0.0012
Schistosoma mansoni importin beta-1 0.0034 0.0312 0.0312

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 50 uM Inhibition of human recombinant DPP4 assessed as Gly-Pro-pNA chromogenic substrate cleavage for 16 mins preincubated with compound for 10 mins before addition of chromogenic substrate ChEMBL. 24900243

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.