Detailed information for compound 1679314

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 308.417 | Formula: C20H24N2O
  • H donors: 1 H acceptors: 1 LogP: 4.23 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C(c1ccccc1)(C)C)Nc1ccccc1N1CCCC1
  • InChi: 1S/C20H24N2O/c1-20(2,16-10-4-3-5-11-16)19(23)21-17-12-6-7-13-18(17)22-14-8-9-15-22/h3-7,10-13H,8-9,14-15H2,1-2H3,(H,21,23)
  • InChiKey: VNNYBLRNBZUSOJ-UHFFFAOYSA-N  

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
Schistosoma mansoni inositol monophosphatase 0.0042 0.0057 0.0066
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0321 0.3662 0.3641
Loa Loa (eye worm) hypothetical protein 0.0151 0.1472 0.1444
Loa Loa (eye worm) inositol-1 0.0042 0.0057 0.0024
Loa Loa (eye worm) voltage-gated potassium channel 0.0137 0.1282 0.1254
Loa Loa (eye worm) pyruvate kinase 0.004 0.0037 0.0005
Schistosoma mansoni pyruvate kinase 0.004 0.0037 0.0014
Onchocerca volvulus Bile acid receptor homolog 0.0321 0.3662 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0321 0.3662 0.3641
Echinococcus multilocularis pyruvate kinase 0.004 0.0037 0.0014
Schistosoma mansoni thyroid hormone receptor 0.0321 0.3662 1
Loa Loa (eye worm) hypothetical protein 0.0057 0.0247 0.0215
Echinococcus multilocularis neutral alpha glucosidase AB 0.0044 0.0081 0.0134
Brugia malayi Glycosyl hydrolases family 31 protein 0.0197 0.206 0.2034
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0321 0.3662 0.4666
Onchocerca volvulus Protein ultraspiracle homolog 0.0321 0.3662 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0321 0.3662 0.3641
Brugia malayi nuclear hormone receptor 0.0321 0.3662 0.3641
Trichomonas vaginalis inositol monophosphatase, putative 0.0042 0.0057 0.4382
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0321 0.3662 0.4666
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0042 0.0057 0.4382
Brugia malayi Nuclear hormone receptor E75 0.0151 0.1472 0.1444
Brugia malayi jmjC domain containing protein 0.0108 0.0912 0.0883
Schistosoma mansoni retinoic acid receptor RXR 0.0321 0.3662 1
Loa Loa (eye worm) hypothetical protein 0.0169 0.1706 0.1679
Loa Loa (eye worm) hypothetical protein 0.0151 0.1472 0.1444
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0151 0.1472 0.3958
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0042 0.0057 0.4382
Brugia malayi Nuclear hormone receptor-like 1 0.0169 0.1706 0.1679
Loa Loa (eye worm) hypothetical protein 0.0321 0.3662 0.3641
Schistosoma mansoni nuclear receptor 0.0151 0.1472 0.3966
Echinococcus granulosus potassium voltage gated channel subfamily KQT 0.0062 0.0325 0.0376
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0321 0.3662 0.3641
Plasmodium falciparum pyruvate kinase 0.004 0.0037 0.5
Echinococcus granulosus thyroid hormone receptor alpha 0.0642 0.781 1
Echinococcus granulosus inositol monophosphatase 1 0.0042 0.0057 0.0031
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0321 0.3662 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0321 0.3662 0.4666
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0321 0.3662 0.3641
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0169 0.1706 0.4613
Loa Loa (eye worm) hypothetical protein 0.0169 0.1706 0.1679
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0042 0.0057 0.4382
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0321 0.3662 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0231 0.0546
Onchocerca volvulus 0.0151 0.1472 0.3958
Brugia malayi Glycosyl hydrolases family 31 protein 0.0044 0.0081 0.0049
Schistosoma mansoni steroid hormone receptor ad4bp 0.0321 0.3662 1
Brugia malayi nuclear receptor RXR 0.0151 0.1472 0.1444
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0321 0.3662 0.3641
Schistosoma mansoni nuclear hormone receptor 0.0151 0.1472 0.3966
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0321 0.3662 0.3641
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0081 1
Echinococcus multilocularis inositol monophosphatase 1 0.0042 0.0057 0.0066
Brugia malayi orphan nuclear receptor NR2E1 0.0151 0.1472 0.1444
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0321 0.3662 0.3641
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0169 0.1706 0.2152
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0231 0.0546
Brugia malayi nuclear hormone receptor family member odr-7 0.0151 0.1472 0.1444
Loa Loa (eye worm) hypothetical protein 0.0062 0.0325 0.0293
Brugia malayi hypothetical protein 0.0151 0.1472 0.1444
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0151 0.1472 0.3966
Brugia malayi hypothetical protein 0.0169 0.1706 0.1679
Loa Loa (eye worm) hypothetical protein 0.004 0.0037 0.0005
Loa Loa (eye worm) hypothetical protein 0.0151 0.1472 0.1444
Loa Loa (eye worm) nuclear hormone receptor 0.0151 0.1472 0.1444
Echinococcus multilocularis jumonji domain containing protein 0.0046 0.011 0.0213
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0042 0.0057 1
Loa Loa (eye worm) nuclear receptor NHR-67 0.0151 0.1472 0.1444
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0042 0.0057 0.5
Brugia malayi Steroid receptor seven-up type 2 0.0321 0.3662 0.3641
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0321 0.3662 0.3641
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0231 0.0199
Schistosoma mansoni voltage-gated potassium channel KCNQ 0.0139 0.1312 0.3527
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0169 0.1706 0.1679
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0151 0.1472 0.3958
Loa Loa (eye worm) hypothetical protein 0.0151 0.1472 0.1444
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0321 0.3662 1
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.004 0.0037 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0321 0.3662 1
Loa Loa (eye worm) DR-78 0.0151 0.1472 0.1444
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0151 0.1472 0.3966
Loa Loa (eye worm) hypothetical protein 0.0169 0.1706 0.1679
Brugia malayi Pyruvate kinase, M2 isozyme 0.004 0.0037 0.0005
Loa Loa (eye worm) hypothetical protein 0.0321 0.3662 0.3641
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0321 0.3662 0.3641
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0321 0.3662 0.4666
Brugia malayi Nuclear hormone receptor-like 1 0.0169 0.1706 0.1679
Loa Loa (eye worm) hypothetical protein 0.0151 0.1472 0.1444
Giardia lamblia Pyruvate kinase 0.004 0.0037 0.5
Loa Loa (eye worm) hypothetical protein 0.0321 0.3662 0.3641
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0321 0.3662 0.3641
Brugia malayi ecdysone receptor 0.0151 0.1472 0.1444
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.206 0.5586
Loa Loa (eye worm) hypothetical protein 0.0169 0.1706 0.1679
Plasmodium vivax pyruvate kinase, putative 0.004 0.0037 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0321 0.3662 0.3641
Brugia malayi nuclear receptor NHR-88 0.0321 0.3662 0.3641
Brugia malayi tailless protein 0.0151 0.1472 0.1444
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0044 0.0081 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0081 1
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0042 0.0057 0.4382
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0321 0.3662 0.3641
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0169 0.1706 0.4613
Echinococcus granulosus ecdysone induced protein 78C 0.0321 0.3662 0.4666
Loa Loa (eye worm) hypothetical protein 0.0151 0.1472 0.1444
Echinococcus granulosus potassium channel KvQLT family member kqt 1 0.0139 0.1312 0.1646
Onchocerca volvulus 0.0114 0.0988 0.2622
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0321 0.3662 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0321 0.3662 1
Echinococcus granulosus nuclear receptor nhr 48 0.0151 0.1472 0.1851
Echinococcus granulosus Nuclear hormone receptor HR96 0.0151 0.1472 0.1851
Brugia malayi nuclear receptor NHR-88 0.0151 0.1472 0.1444
Schistosoma mansoni nuclear receptor nhr-48 0.0151 0.1472 0.3966
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0321 0.3662 0.3641
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0151 0.1472 0.1851
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0321 0.3662 0.3641
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0169 0.1706 0.4613
Brugia malayi nuclear receptor RXR 0.0169 0.1706 0.1679
Schistosoma mansoni alpha-glucosidase 0.0169 0.1706 0.461
Schistosoma mansoni pyruvate kinase 0.004 0.0037 0.0014
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0321 0.3662 0.4666
Onchocerca volvulus 0.0321 0.3662 1
Schistosoma mansoni RAR-like nuclear receptor 0.0321 0.3662 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0321 0.3662 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0068 0.0397 0.0365
Loa Loa (eye worm) hypothetical protein 0.0321 0.3662 0.3641
Loa Loa (eye worm) hypothetical protein 0.0151 0.1472 0.1444
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0081 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0321 0.3662 0.4666
Brugia malayi Nuclear hormone receptor E75 0.0151 0.1472 0.1444
Echinococcus granulosus pyruvate kinase 0.004 0.0037 0.0006
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0042 0.0057 0.4382
Echinococcus granulosus jumonji domain containing protein 0.0046 0.011 0.0099
Brugia malayi Nuclear hormone receptor-like 1 0.0321 0.3662 0.3641
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0108 0.0912 0.2424
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0231 0.0546
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0321 0.3662 0.3641
Schistosoma mansoni nuclear hormone receptor 0.0321 0.3662 1
Echinococcus granulosus Nuclear hormone receptor HR96 0.0151 0.1472 0.1851
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0231 0.0546
Brugia malayi nuclear receptor NHR-67 0.0151 0.1472 0.1444
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0151 0.1472 0.1851
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0321 0.3662 0.3641
Loa Loa (eye worm) potassium voltage-gated channel subfamily Q member 5 0.0062 0.0325 0.0293
Trichomonas vaginalis maltase-glucoamylase, putative 0.0044 0.0081 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0321 0.3662 1
Schistosoma mansoni alpha glucosidase 0.0044 0.0081 0.0134
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0231 0.0255
Trypanosoma brucei glucosidase, putative 0.0044 0.0081 1
Loa Loa (eye worm) hypothetical protein 0.0321 0.3662 0.3641
Echinococcus granulosus lysosomal alpha glucosidase 0.0197 0.206 0.2606
Echinococcus granulosus FTZ F1 alpha 0.0321 0.3662 0.4666
Brugia malayi Pyruvate kinase, muscle isozyme 0.004 0.0037 0.0005
Loa Loa (eye worm) hypothetical protein 0.0169 0.1706 0.1679
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.0081 1
Brugia malayi nuclear hormone receptor family member nhr-6 0.0151 0.1472 0.1444
Loa Loa (eye worm) hypothetical protein 0.0321 0.3662 0.3641
Chlamydia trachomatis pyruvate kinase 0.004 0.0037 0.5
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0042 0.0057 0.4382
Brugia malayi ecdysteroid receptor 0.0321 0.3662 0.3641
Brugia malayi Voltage-gated potassium channel, KCNQ (Kv7-like) alpha-subunit. C. elegans kqt-1 ortholog 0.0139 0.1312 0.1284
Schistosoma mansoni coup transcription factor 0.0321 0.3662 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0044 0.0081 0.0049
Loa Loa (eye worm) hypothetical protein 0.0062 0.0325 0.0293
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0151 0.1472 0.3966
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.206 0.5586
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.0081 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0321 0.3662 0.3641
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0321 0.3662 0.4666
Schistosoma mansoni jumonji domain containing protein 0.0086 0.0625 0.1634
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0321 0.3662 1
Loa Loa (eye worm) pyruvate kinase 0.004 0.0037 0.0005
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0321 0.3662 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0081 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0321 0.3662 1
Echinococcus multilocularis potassium voltage gated channel subfamily KQT 0.0062 0.0325 0.0805
Echinococcus multilocularis potassium voltage gated channel subfamily KQT 0.0139 0.1312 0.3527
Echinococcus granulosus neutral alpha glucosidase AB 0.0044 0.0081 0.0062
Leishmania major alpha glucosidase II subunit, putative 0.0044 0.0081 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0231 0.0255
Loa Loa (eye worm) hypothetical protein 0.0151 0.1472 0.1444
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0151 0.1472 0.1444
Schistosoma mansoni alpha-glucosidase 0.0169 0.1706 0.461
Schistosoma mansoni inositol monophosphatase 0.0042 0.0057 0.0066
Schistosoma mansoni thyroid hormone receptor 0.0321 0.3662 1
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0081 1
Loa Loa (eye worm) hypothetical protein 0.0151 0.1472 0.1444
Echinococcus multilocularis pyruvate kinase 0.004 0.0037 0.0014
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0151 0.1472 0.3966
Brugia malayi conserved hypotetical protein 0.0151 0.1472 0.1444
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0108 0.0912 0.1131
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0321 0.3662 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0081 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0321 0.3662 1
Loa Loa (eye worm) pyruvate kinase 0.004 0.0037 0.0005
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0321 0.3662 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0321 0.3662 1
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0042 0.0057 0.4382
Loa Loa (eye worm) steroid hormone receptor 0.0811 1 1
Echinococcus multilocularis nuclear receptor nhr 48 0.0151 0.1472 0.3966
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0151 0.1472 0.3966
Schistosoma mansoni nuclear receptor 0.0151 0.1472 0.3966
Loa Loa (eye worm) hypothetical protein 0.0151 0.1472 0.1444
Loa Loa (eye worm) hypothetical protein 0.0321 0.3662 0.3641
Loa Loa (eye worm) hypothetical protein 0.0151 0.1472 0.1444
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.0081 1
Echinococcus granulosus pyruvate kinase 0.004 0.0037 0.0006
Brugia malayi hypothetical protein 0.0151 0.1472 0.1444
Onchocerca volvulus 0.0151 0.1472 0.3958
Echinococcus multilocularis FTZ F1 alpha 0.0321 0.3662 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0231 0.0546
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0151 0.1472 0.3966
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0151 0.1472 0.3966
Trichomonas vaginalis sucrase-isomaltase, putative 0.0044 0.0081 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0081 1
Loa Loa (eye worm) hypothetical protein 0.0321 0.3662 0.3641
Brugia malayi photoreceptor-specific nuclear receptor 0.0321 0.3662 0.3641
Mycobacterium leprae Probable pyruvate kinase PykA 0.004 0.0037 1
Brugia malayi hypothetical protein 0.0169 0.1706 0.1679
Brugia malayi Inositol-1 0.0042 0.0057 0.0024
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0321 0.3662 0.3641
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0321 0.3662 0.3641
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0197 0.206 0.2034
Brugia malayi nuclear hormone receptor 0.0151 0.1472 0.1444
Schistosoma mansoni zinc finger protein 0.0151 0.1472 0.3966
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0151 0.1472 0.1444
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.0081 1
Loa Loa (eye worm) hypothetical protein 0.0151 0.1472 0.1444
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0231 0.0199
Schistosoma mansoni nuclear hormone receptor 0.0151 0.1472 0.3966
Loa Loa (eye worm) hypothetical protein 0.0151 0.1472 0.1444

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 30 uM Antagonist activity at KCNQ2 expressed in CHO cells incubated for 3 mins by automated patch clamp assay ChEMBL. 22793372

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.