Detailed information for compound 1024998

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 333.384 | Formula: C20H19N3O2
  • H donors: 2 H acceptors: 1 LogP: 4.07 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(CNc2ncc3c(c2)c2ccccc2[nH]3)ccc1OC
  • InChi: 1S/C20H19N3O2/c1-24-18-8-7-13(9-19(18)25-2)11-21-20-10-15-14-5-3-4-6-16(14)23-17(15)12-22-20/h3-10,12,23H,11H2,1-2H3,(H,21,22)
  • InChiKey: HBLRZVSATGYPAV-UHFFFAOYSA-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
Onchocerca volvulus 0.0035 0.0326 0.1566
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0089 0.0989 0.1557
Echinococcus multilocularis pyruvate kinase 0.0018 0.0115 0.0115
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0011 0.0024 0.0024
Loa Loa (eye worm) hypothetical protein 0.0011 0.0024 0.0115
Brugia malayi Nuclear hormone receptor-like 1 0.0011 0.0024 0.0115
Schistosoma mansoni thyroid hormone receptor 0.0011 0.0024 0.0038
Loa Loa (eye worm) latrophilin receptor protein 2 0.0047 0.0472 0.2273
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0011 0.0024 0.0115
Onchocerca volvulus Huntingtin homolog 0.0093 0.104 0.5003
Leishmania major pyruvate kinase 0.0035 0.0327 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0011 0.0024 0.0038
Loa Loa (eye worm) beta-lactamase 0.0035 0.0326 0.1566
Loa Loa (eye worm) steroid hormone receptor 0.0011 0.0024 0.0115
Mycobacterium ulcerans bifunctional N-acetylglucosamine-1-phosphate uridyltransferase/glucosamine-1-phosphate acetyltransferase 0.0581 0.7024 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0106 0.12 0.1306
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0823 1 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0326 0.1566
Echinococcus granulosus pyruvate kinase 0.0018 0.0115 0.0115
Schistosoma mansoni thyroid hormone receptor 0.0011 0.0024 0.0038
Echinococcus granulosus pyruvate kinase 0.0018 0.0115 0.0115
Onchocerca volvulus 0.0011 0.0024 0.0115
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0011 0.0024 0.0115
Brugia malayi nuclear hormone receptor 0.0011 0.0024 0.0115
Mycobacterium ulcerans molybdopterin-guanine dinucleotide biosynthesis protein A 0.0106 0.12 0.1306
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0178 0.2078 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0089 0.0989 0.0989
Brugia malayi Pyruvate kinase, M2 isozyme 0.0035 0.0327 0.1571
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0225 0.266 0.3485
Brugia malayi steroid hormone receptor 0.0011 0.0024 0.0115
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0011 0.0024 0.0024
Onchocerca volvulus Pyruvate kinase homolog 0.0035 0.0327 0.1571
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0011 0.0024 0.0115
Schistosoma mansoni steroid hormone receptor ad4bp 0.0011 0.0024 0.0038
Mycobacterium ulcerans pyruvate kinase 0.0035 0.0327 0.0001
Echinococcus multilocularis pyruvate kinase 0.0035 0.0327 0.0327
Loa Loa (eye worm) hypothetical protein 0.0035 0.0326 0.1566
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0011 0.0024 0.0038
Onchocerca volvulus Huntingtin homolog 0.0093 0.104 0.5003
Schistosoma mansoni RAR-like nuclear receptor 0.0011 0.0024 0.0038
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0326 0.1566
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.0024 0.0115
Brugia malayi N-terminal motif family protein 0.0178 0.2078 1
Mycobacterium ulcerans hypothetical protein 0.0106 0.12 0.1306
Trichomonas vaginalis pyruvate kinase, putative 0.0035 0.0327 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0011 0.0024 0.0115
Loa Loa (eye worm) hypothetical protein 0.0149 0.1725 0.8301
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0149 0.1725 0.8301
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0011 0.0024 0.0115
Treponema pallidum licC protein (licC) 0.0106 0.12 0.5
Trypanosoma cruzi pyruvate kinase 2, putative 0.0035 0.0327 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0011 0.0024 0.0115
Brugia malayi photoreceptor-specific nuclear receptor 0.0011 0.0024 0.0115
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0089 0.0989 0.0989
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0011 0.0024 0.0024
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0089 0.0989 0.1557
Echinococcus granulosus pyruvate kinase 0.0035 0.0327 0.0327
Brugia malayi nuclear receptor NHR-88 0.0011 0.0024 0.0115
Schistosoma mansoni microtubule-associated protein tau 0.0526 0.6355 1
Trypanosoma cruzi pyruvate kinase 2, putative 0.0035 0.0327 1
Toxoplasma gondii eukaryotic initiation factor-2B, gamma subunit, putative 0.0106 0.12 1
Brugia malayi beta-lactamase family protein 0.0035 0.0326 0.1566
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0089 0.0989 0.0989
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0047 0.0472 0.0472
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0011 0.0024 0.0024
Onchocerca volvulus Protein ultraspiracle homolog 0.0011 0.0024 0.0115
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0089 0.0989 0.476
Loa Loa (eye worm) hypothetical protein 0.0011 0.0024 0.0115
Schistosoma mansoni retinoic acid receptor RXR 0.0011 0.0024 0.0038
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0047 0.0472 0.0472
Chlamydia trachomatis pyruvate kinase 0.0035 0.0327 0.5
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0011 0.0024 0.0038
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0011 0.0024 0.0038
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.0024 0.0024
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.0024 0.0115
Schistosoma mansoni hypothetical protein 0.0047 0.0472 0.0743
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0089 0.0989 0.1557
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.0024 0.0115
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0047 0.0472 0.0472
Echinococcus multilocularis pyruvate kinase 0.0035 0.0327 0.0327
Schistosoma mansoni hypothetical protein 0.0507 0.6122 0.9633
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0047 0.0472 0.2273
Echinococcus multilocularis microtubule associated protein 2 0.0526 0.6355 0.6355
Echinococcus multilocularis GPCR, family 2 0.0047 0.0472 0.0472
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0326 0.9953
Loa Loa (eye worm) hypothetical protein 0.0011 0.0024 0.0115
Brugia malayi latrophilin 2 splice variant baaae 0.0102 0.1145 0.551
Loa Loa (eye worm) pyruvate kinase 0.0035 0.0327 0.1571
Echinococcus granulosus geminin 0.0507 0.6122 0.6122
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.0024 0.0024
Echinococcus multilocularis FTZ F1 alpha 0.0011 0.0024 0.0024
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0035 0.0327 0.0001
Schistosoma mansoni coup transcription factor 0.0011 0.0024 0.0038
Giardia lamblia Pyruvate kinase 0.0035 0.0327 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0011 0.0024 0.0115
Mycobacterium leprae Probable UDP-N-acetylglucosamine pyrophosphorylase GlmU 0.0581 0.7024 1
Echinococcus granulosus pyruvate kinase 0.0035 0.0327 0.0327
Echinococcus multilocularis ecdysone induced protein 78C 0.0011 0.0024 0.0024
Loa Loa (eye worm) hypothetical protein 0.0035 0.0327 0.1571
Loa Loa (eye worm) hypothetical protein 0.0178 0.2078 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0011 0.0024 0.0115
Echinococcus granulosus microtubule associated protein 2 0.0526 0.6355 0.6355
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.0024 0.0115
Brugia malayi Pyruvate kinase, muscle isozyme 0.0035 0.0327 0.1571
Brugia malayi beta-lactamase 0.0035 0.0326 0.1566
Loa Loa (eye worm) hypothetical protein 0.0093 0.104 0.5003
Echinococcus multilocularis pyruvate kinase 0.0018 0.0115 0.0115
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0011 0.0024 0.0115
Mycobacterium leprae Probable pyruvate kinase PykA 0.0035 0.0327 0.0001
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0011 0.0024 0.0115
Onchocerca volvulus Bile acid receptor homolog 0.0011 0.0024 0.0115
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0149 0.1725 0.8301
Brugia malayi beta-lactamase family protein 0.0035 0.0326 0.1566
Plasmodium vivax pyruvate kinase, putative 0.0035 0.0327 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0326 0.1566
Loa Loa (eye worm) hypothetical protein 0.0047 0.0472 0.2273
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0089 0.0989 0.476
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0011 0.0024 0.0038
Mycobacterium ulcerans hypothetical protein 0.0106 0.12 0.1306
Brugia malayi hypothetical protein 0.0093 0.104 0.5003
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.0024 0.0024
Echinococcus granulosus GPCR family 2 0.0047 0.0472 0.0472
Mycobacterium tuberculosis Conserved hypothetical protein 0.0106 0.12 0.1306
Brugia malayi Pyruvate kinase, alpha/beta domain containing protein 0.0011 0.0024 0.0114
Echinococcus granulosus FTZ F1 alpha 0.0011 0.0024 0.0024
Toxoplasma gondii ABC1 family protein 0.0035 0.0326 0.2713
Onchocerca volvulus Pyruvate kinase homolog 0.0035 0.0327 0.1571
Wolbachia endosymbiont of Brugia malayi N-acetylglucosamine-1-phosphate uridyltransferase 0.0581 0.7024 0.5
Mycobacterium tuberculosis Probable UDP-N-acetylglucosamine pyrophosphorylase GlmU 0.0581 0.7024 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0326 0.0326
Onchocerca volvulus Pyruvate kinase homolog 0.0035 0.0327 0.1571
Brugia malayi Steroid receptor seven-up type 2 0.0011 0.0024 0.0115
Loa Loa (eye worm) hypothetical protein 0.0011 0.0024 0.0115
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.0024 0.0115
Schistosoma mansoni hypothetical protein 0.0047 0.0472 0.0743
Leishmania major pyruvate kinase 0.0035 0.0327 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0089 0.0989 0.0989
Echinococcus multilocularis geminin 0.0507 0.6122 0.6122
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.0024 0.0024
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0011 0.0024 0.0115
Trypanosoma brucei pyruvate kinase 1 0.0035 0.0327 1
Schistosoma mansoni hypothetical protein 0.0047 0.0472 0.0743
Loa Loa (eye worm) hypothetical protein 0.0011 0.0024 0.0115
Schistosoma mansoni pyruvate kinase 0.0018 0.0115 0.0181
Loa Loa (eye worm) hypothetical protein 0.0011 0.0024 0.0115
Echinococcus multilocularis pyruvate kinase 0.0028 0.0235 0.0235
Schistosoma mansoni nuclear hormone receptor 0.0011 0.0024 0.0038
Echinococcus granulosus pyruvate kinase 0.0018 0.0115 0.0115
Entamoeba histolytica pyruvate kinase, putative 0.0025 0.0195 0.5
Toxoplasma gondii pyruvate kinase PyK1 0.0035 0.0327 0.2721
Trypanosoma brucei pyruvate kinase 1, putative 0.0035 0.0327 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0326 0.0326
Loa Loa (eye worm) hypothetical protein 0.0035 0.0326 0.1566
Loa Loa (eye worm) hypothetical protein 0.0011 0.0024 0.0115
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0011 0.0024 0.0024
Brugia malayi ecdysteroid receptor 0.0011 0.0024 0.0115
Echinococcus granulosus ecdysone induced protein 78C 0.0011 0.0024 0.0024
Onchocerca volvulus 0.0035 0.0326 0.1566
Echinococcus multilocularis pyruvate kinase 0.0018 0.0115 0.0115
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.0024 0.0115
Onchocerca volvulus 0.0035 0.0326 0.1566
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0326 0.1566
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0011 0.0024 0.0038
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0011 0.0024 0.0024
Loa Loa (eye worm) hypothetical protein 0.0025 0.0195 0.0939
Brugia malayi Calcitonin receptor-like protein seb-1 0.0149 0.1725 0.8301
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0011 0.0024 0.0024
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0326 0.0512
Loa Loa (eye worm) hypothetical protein 0.0093 0.104 0.5003
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0011 0.0024 0.0024
Loa Loa (eye worm) pyruvate kinase 0.0035 0.0327 0.1571
Plasmodium falciparum pyruvate kinase 0.0035 0.0327 1
Loa Loa (eye worm) pyruvate kinase-PB 0.0025 0.0195 0.0939
Echinococcus multilocularis thyroid hormone receptor alpha 0.0011 0.0024 0.0024
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0047 0.0472 0.0472
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0326 0.0512
Loa Loa (eye worm) pyruvate kinase 0.0035 0.0327 0.1571
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0011 0.0024 0.0115
Loa Loa (eye worm) hypothetical protein 0.0035 0.0326 0.1566
Loa Loa (eye worm) hypothetical protein 0.0035 0.0326 0.1566
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0011 0.0024 0.0115
Brugia malayi Latrophilin receptor protein 2 0.0047 0.0472 0.2273
Schistosoma mansoni pyruvate kinase 0.0035 0.0327 0.0514
Loa Loa (eye worm) hypothetical protein 0.0102 0.1145 0.551
Schistosoma mansoni hypothetical protein 0.0047 0.0472 0.0743
Loa Loa (eye worm) hypothetical protein 0.0011 0.0024 0.0115
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0011 0.0024 0.0024
Schistosoma mansoni hypothetical protein 0.0507 0.6122 0.9633
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0011 0.0024 0.0115
Schistosoma mansoni hypothetical protein 0.0102 0.1145 0.1802
Schistosoma mansoni pyruvate kinase 0.0035 0.0327 0.0514
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0011 0.0024 0.0115
Toxoplasma gondii pyruvate kinase PyKII 0.0018 0.0115 0.096
Trichomonas vaginalis pyruvate kinase, putative 0.0035 0.0327 1

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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