Detailed information for compound 684062

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 366.414 | Formula: C20H22N4O3
  • H donors: 2 H acceptors: 2 LogP: 2.65 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCCCn1c(=O)[nH]c2c(c1=NC(=O)Nc1cccc(c1)C)cccc2
  • InChi: 1S/C20H22N4O3/c1-14-7-5-8-15(13-14)21-19(25)23-18-16-9-3-4-10-17(16)22-20(26)24(18)11-6-12-27-2/h3-5,7-10,13H,6,11-12H2,1-2H3,(H,21,25)(H,22,26)/b23-18+
  • InChiKey: NJYJPZGWPSAAFA-PTGBLXJZSA-N  

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
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0135 0.2062 0.3663
Leishmania major 4-coumarate:coa ligase-like protein 0.0047 0.0539 1
Brugia malayi DKFZp564C0469 protein 0.0029 0.0224 0.1087
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0047 0.0539 0.0322
Brugia malayi hypothetical protein 0.0029 0.0224 0.1087
Loa Loa (eye worm) hypothetical protein 0.0029 0.0224 0.1087
Schistosoma mansoni coup transcription factor 0.002 0.0073 0.0135
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0047 0.0539 0.0322
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0135 0.2062 0.3806
Loa Loa (eye worm) hypothetical protein 0.0042 0.045 0.2185
Echinococcus multilocularis protoporphyrinogen oxidase 0.0042 0.045 0.08
Mycobacterium ulcerans hypothetical protein 0.0047 0.0539 0.0322
Loa Loa (eye worm) hypothetical protein 0.002 0.0073 0.0355
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.002 0.0073 0.013
Loa Loa (eye worm) hypothetical protein 0.002 0.0073 0.0355
Schistosoma mansoni RAR-like nuclear receptor 0.002 0.0073 0.0135
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0135 0.2062 0.2177
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.002 0.0073 0.0077
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.031 1
Onchocerca volvulus 0.0042 0.045 0.7288
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0135 0.2062 0.3663
Schistosoma mansoni amine oxidase 0.0042 0.045 0.0832
Mycobacterium ulcerans monoamine oxidase 0.0042 0.045 0.0231
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0042 0.045 0.23
Loa Loa (eye worm) hypothetical protein 0.0049 0.057 0.2767
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0035 0.0334 0.0037
Echinococcus granulosus replication factor c subunit 1 0.0029 0.0224 0.0237
Echinococcus multilocularis nibrin 0.0029 0.0224 0.0398
Plasmodium vivax hypothetical protein, conserved 0.0042 0.045 0.0903
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.0073 0.0077
Echinococcus granulosus nibrin 0.0029 0.0224 0.0237
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.002 0.0073 0.0135
Brugia malayi nuclear receptor NHR-88 0.002 0.0073 0.0355
Schistosoma mansoni topbp1 0.0029 0.0224 0.0414
Loa Loa (eye worm) hypothetical protein 0.002 0.0073 0.0355
Mycobacterium ulcerans chorismate synthase 0.0174 0.2731 0.2564
Trichomonas vaginalis rotamase, putative 0.0033 0.0297 0.8407
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0042 0.045 0.0903
Brugia malayi hypothetical protein 0.0042 0.045 0.2185
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0304 0.1472
Wolbachia endosymbiont of Brugia malayi NAD-dependent DNA ligase, Lig 0.0029 0.0224 0.5
Loa Loa (eye worm) Pin1-type peptidyl-prolyl cis-trans isomerase 0.0034 0.031 0.1505
Echinococcus multilocularis expressed protein 0.0034 0.031 0.0551
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0033 0.0297 0.3203
Schistosoma mansoni rotamase 0.0034 0.031 0.0573
Loa Loa (eye worm) steroid hormone receptor 0.002 0.0073 0.0355
Loa Loa (eye worm) hypothetical protein 0.0035 0.0334 0.1619
Schistosoma mansoni chromosome transmission fidelity factor 0.0029 0.0224 0.0414
Loa Loa (eye worm) hypothetical protein 0.002 0.0073 0.0355
Leishmania major 4-coumarate:coa ligase-like protein 0.0047 0.0539 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.002 0.0073 0.0077
Loa Loa (eye worm) hypothetical protein 0.0042 0.045 0.2185
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.002 0.0073 0.0355
Brugia malayi amine oxidase, flavin-containing family protein 0.0042 0.045 0.2185
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0047 0.0539 0.0322
Brugia malayi Nuclear hormone receptor family member nhr-49 0.002 0.0073 0.0355
Trypanosoma cruzi UDP-galactopyranose mutase 0.0042 0.045 1
Schistosoma mansoni amine oxidase 0.0042 0.045 0.0832
Brugia malayi AMP-binding enzyme family protein 0.0047 0.0539 0.2615
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0042 0.045 0.08
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0047 0.0539 0.3201
Schistosoma mansoni steroid hormone receptor ad4bp 0.002 0.0073 0.0135
Loa Loa (eye worm) hypothetical protein 0.0029 0.0224 0.1087
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.002 0.0073 0.0355
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0135 0.2062 0.3806
Loa Loa (eye worm) hypothetical protein 0.0029 0.0224 0.1087
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.0073 0.0355
Schistosoma mansoni hypothetical protein 0.0033 0.0304 0.056
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.0073 0.0355
Brugia malayi AMP-binding enzyme family protein 0.0047 0.0539 0.2615
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0135 0.2062 1
Brugia malayi hypothetical protein 0.0029 0.0224 0.1087
Echinococcus granulosus geminin 0.033 0.5417 0.5718
Brugia malayi ATP dependent DNA ligase C terminal region family protein 0.0029 0.0224 0.1087
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0035 0.0334 0.0438
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.002 0.0073 0.0355
Plasmodium vivax chorismate synthase 0.0174 0.2731 1
Schistosoma mansoni DNA ligase IV 0.0029 0.0224 0.0414
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0017 0.0025 0.012
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.002 0.0073 0.0355
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0042 0.045 0.0903
Echinococcus multilocularis 0.0042 0.045 0.08
Brugia malayi Nuclear hormone receptor-like 1 0.002 0.0073 0.0355
Mycobacterium ulcerans oxidoreductase 0.0042 0.045 0.0231
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.002 0.0073 0.013
Loa Loa (eye worm) hypothetical protein 0.0042 0.045 0.2185
Loa Loa (eye worm) hypothetical protein 0.0047 0.0539 0.2615
Echinococcus multilocularis ecdysone induced protein 78C 0.002 0.0073 0.013
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative 0.0033 0.0297 0.2301
Brugia malayi AMP-binding enzyme family protein 0.0047 0.0539 0.2615
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.002 0.0073 0.0355
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0135 0.2062 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0304 0.1472
Onchocerca volvulus 0.0029 0.0224 0.2916
Loa Loa (eye worm) hypothetical protein 0.0042 0.045 0.2185
Loa Loa (eye worm) hypothetical protein 0.005 0.0591 0.2865
Brugia malayi ecdysteroid receptor 0.002 0.0073 0.0355
Loa Loa (eye worm) hypothetical protein 0.002 0.0073 0.0355
Plasmodium vivax hypothetical protein, conserved 0.0042 0.045 0.0903
Schistosoma mansoni retinoid-x-receptor (RXR) 0.002 0.0073 0.0135
Loa Loa (eye worm) hypothetical protein 0.0029 0.0224 0.1087
Brugia malayi Nuclear hormone receptor family member nhr-14 0.002 0.0073 0.0355
Loa Loa (eye worm) hypothetical protein 0.0047 0.0539 0.2615
Loa Loa (eye worm) hypothetical protein 0.0029 0.0224 0.1087
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.0073 0.013
Trypanosoma cruzi UDP-galactopyranose mutase 0.0042 0.045 1
Mycobacterium leprae Chorismate synthase AroF (5-enolpyruvylshikimate-3-phosphate phospholyase). 0.0086 0.1208 1
Schistosoma mansoni thyroid hormone receptor 0.002 0.0073 0.0135
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.002 0.0073 0.0077
Mycobacterium ulcerans acyl-CoA synthetase 0.0047 0.0539 0.0322
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0047 0.0539 0.0266
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.0073 0.0355
Schistosoma mansoni retinoic acid receptor RXR 0.002 0.0073 0.0135
Chlamydia trachomatis protoporphyrinogen oxidase 0.0042 0.045 0.0903
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.002 0.0073 0.0077
Leishmania major UDP-galactopyranose mutase 0.0042 0.045 0.6343
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.0073 0.0077
Leishmania major 4-coumarate:coa ligase-like protein 0.0047 0.0539 1
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0033 0.0297 0.3203
Echinococcus granulosus lysine specific histone demethylase 1A 0.0042 0.045 0.0475
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0042 0.045 0.0903
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0596 1 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.002 0.0073 0.0135
Loa Loa (eye worm) hypothetical protein 0.002 0.0073 0.0355
Loa Loa (eye worm) hypothetical protein 0.0035 0.0334 0.1619
Brugia malayi Nuclear hormone receptor family member nhr-40 0.002 0.0073 0.0355
Brugia malayi topoisomerase 0.0029 0.0224 0.1087
Brugia malayi Immunoglobulin I-set domain containing protein 0.0017 0.0025 0.012
Entamoeba histolytica acyl-coA synthetase, putative 0.0047 0.0539 1
Schistosoma mansoni hypothetical protein 0.033 0.5417 1
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0042 0.045 0.0832
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.057 0.2767
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0047 0.0539 0.0266
Mycobacterium tuberculosis Conserved hypothetical protein 0.0042 0.045 0.0167
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.002 0.0073 0.0355
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase/rotamase, putative 0.0033 0.0297 1
Onchocerca volvulus 0.005 0.0591 1
Toxoplasma gondii chorismate synthase, putative 0.0174 0.2731 1
Brugia malayi Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1 0.0034 0.031 0.1505
Loa Loa (eye worm) hypothetical protein 0.0042 0.045 0.2185
Echinococcus granulosus retinoic acid receptor rxr beta a 0.002 0.0073 0.0077
Entamoeba histolytica acyl-CoA synthetase, putative 0.0047 0.0539 1
Mycobacterium tuberculosis Probable chorismate synthase AroF (5-enolpyruvylshikimate-3-phosphate phospholyase) 0.0086 0.1208 0.1011
Plasmodium vivax acyl-CoA synthetase, putative 0.0035 0.0334 0.0438
Brugia malayi steroid hormone receptor 0.002 0.0073 0.0355
Loa Loa (eye worm) hypothetical protein 0.0029 0.0224 0.1087
Schistosoma mansoni topbp1 0.0029 0.0224 0.0414
Brugia malayi Steroid receptor seven-up type 2 0.002 0.0073 0.0355
Toxoplasma gondii peptidylprolyl isomerase 0.0033 0.0297 0.0289
Echinococcus granulosus ecdysone induced protein 78C 0.002 0.0073 0.0077
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.002 0.0073 0.013
Echinococcus granulosus lysine specific histone demethylase 1A 0.0042 0.045 0.0475
Brugia malayi Nuclear hormone receptor family member nhr-41 0.002 0.0073 0.0355
Schistosoma mansoni cellular tumor antigen P53 0.005 0.0591 0.1091
Schistosoma mansoni hypothetical protein 0.033 0.5417 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0334 0.1619
Schistosoma mansoni Tr4/Tr2 (homologue) 0.002 0.0073 0.0135
Brugia malayi Nuclear hormone receptor family member nhr-31 0.002 0.0073 0.0355
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0135 0.2062 0.2177
Echinococcus multilocularis FTZ F1 alpha 0.002 0.0073 0.013
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0047 0.0539 0.3201
Mycobacterium ulcerans acyl-CoA synthetase 0.0047 0.0539 0.0322
Loa Loa (eye worm) hypothetical protein 0.0047 0.0539 0.2615
Loa Loa (eye worm) hypothetical protein 0.0035 0.0334 0.1619
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.0073 0.013
Treponema pallidum DNA ligase (lig) 0.0029 0.0224 0.5
Echinococcus granulosus tumor protein p63 0.0342 0.5629 0.5942
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.0073 0.0355
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.002 0.0073 0.0135
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.057 0.2767
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0135 0.2062 0.3806
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.002 0.0073 0.0135
Chlamydia trachomatis chorismate synthase 0.0174 0.2731 1
Onchocerca volvulus 0.0047 0.0539 0.9001
Mycobacterium tuberculosis Possible oxidoreductase 0.0042 0.045 0.0167
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.057 0.2767
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.0073 0.0355
Mycobacterium ulcerans dehydrogenase 0.0042 0.045 0.0231
Brugia malayi Nuclear hormone receptor family member nhr-3 0.002 0.0073 0.0355
Schistosoma mansoni thyroid hormone receptor 0.002 0.0073 0.0135
Mycobacterium ulcerans protoporphyrinogen oxidase 0.0042 0.045 0.0231
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0047 0.0539 0.0322
Mycobacterium ulcerans acyl-CoA synthetase 0.0047 0.0539 0.0322
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.002 0.0073 0.0355
Brugia malayi SWIRM domain containing protein 0.0042 0.045 0.2185
Brugia malayi Pax transcription activation domain interacting protein 0.0029 0.0224 0.1087
Loa Loa (eye worm) hypothetical protein 0.0042 0.045 0.2185
Echinococcus granulosus macrophage colony stimulating factor 1 receptor 0.0565 0.9472 1
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0042 0.045 0.0903
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0042 0.045 0.0903
Trichomonas vaginalis rotamase, putative 0.0034 0.031 1
Echinococcus granulosus FTZ F1 alpha 0.002 0.0073 0.0077
Brugia malayi Nuclear hormone receptor family member nhr-1 0.002 0.0073 0.0355
Brugia malayi nuclear hormone receptor 0.002 0.0073 0.0355
Loa Loa (eye worm) hypothetical protein 0.0035 0.0334 0.1619
Echinococcus multilocularis thyroid hormone receptor alpha 0.002 0.0073 0.013
Schistosoma mansoni nuclear hormone receptor 0.002 0.0073 0.0135
Loa Loa (eye worm) hypothetical protein 0.002 0.0073 0.0355
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.002 0.0073 0.013
Plasmodium falciparum acyl-CoA synthetase 0.0035 0.0334 0.0438
Plasmodium falciparum protoporphyrinogen oxidase 0.0042 0.045 0.0903
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.0073 0.0355
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0042 0.045 0.0832
Plasmodium falciparum chorismate synthase 0.0174 0.2731 1
Echinococcus multilocularis replication factor c subunit 1 0.0029 0.0224 0.0398
Loa Loa (eye worm) hypothetical protein 0.002 0.0073 0.0355
Echinococcus granulosus expressed protein 0.0034 0.031 0.0328
Brugia malayi photoreceptor-specific nuclear receptor 0.002 0.0073 0.0355
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.0554 0.9277 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0035 0.0334 0.0112
Entamoeba histolytica acyl-CoA synthetase, putative 0.0047 0.0539 1
Giardia lamblia Replication factor C, subunit 1 0.0029 0.0224 0.5
Echinococcus multilocularis geminin 0.033 0.5417 0.9624
Echinococcus multilocularis tumor protein p63 0.0342 0.5629 1
Toxoplasma gondii histone lysine-specific demethylase 0.0042 0.045 0.0903

Activities

No activities found for this compound.

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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