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

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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