Detailed information for compound 1720383

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 262.306 | Formula: C17H14N2O
  • H donors: 2 H acceptors: 1 LogP: 4.14 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=O)c1ccccc1Nc1ccc2c(c1)cccc2
  • InChi: 1S/C17H14N2O/c18-17(20)15-7-3-4-8-16(15)19-14-10-9-12-5-1-2-6-13(12)11-14/h1-11,19H,(H2,18,20)
  • InChiKey: HIWBMMBZYBZZNN-UHFFFAOYSA-N  


Substructure search Similarity search

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
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.016 0.016
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0069 0.0256 0.3974
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) 0.1626 0.6906 0.5
Onchocerca volvulus 0.0046 0.0158 0.0158
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.0005 0.0083
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0069 0.0256 0.3974
Entamoeba histolytica protein tyrosine phosphatase, putative 0.2351 1 1
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) 0.0069 0.0256 0.1677
Loa Loa (eye worm) hypothetical protein 0.001 0.0005 0.0005
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.001 0.0005 0.0005
Schistosoma mansoni hypothetical protein 0.0016 0.003 0.0465
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.003 0.0196
Echinococcus multilocularis ecdysone induced protein 78C 0.001 0.0005 0.0035
Brugia malayi calpain 5 0.002 0.0045 0.0045
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase 0.2351 1 0.5
Onchocerca volvulus Protein ultraspiracle homolog 0.001 0.0005 0.0005
Brugia malayi Nuclear hormone receptor family member nhr-31 0.001 0.0005 0.0005
Loa Loa (eye worm) hypothetical protein 0.001 0.0005 0.0005
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.001 0.0005 0.0035
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.001 0.0005 0.0005
Toxoplasma gondii hypothetical protein 0.0009 0 0.5
Echinococcus multilocularis calpain 7 (C02 family) 0.002 0.0045 0.0293
Loa Loa (eye worm) hypothetical protein 0.0074 0.0276 0.0276
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.0005 0.0083
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.001 0.0005 0.0005
Echinococcus multilocularis thyroid hormone receptor alpha 0.001 0.0005 0.0035
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.003 0.0196
Echinococcus granulosus GPCR family 2 0.0016 0.003 0.0196
Loa Loa (eye worm) steroid hormone receptor 0.001 0.0005 0.0005
Loa Loa (eye worm) calpain family protein 1 0.0046 0.0158 0.0158
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.001 0.0005 0.0035
Loa Loa (eye worm) hypothetical protein 0.0051 0.0178 0.0178
Echinococcus granulosus calpain A 0.0069 0.0256 0.1677
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.2351 1 1
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.011 0.011
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.001 0.0005 0.0005
Schistosoma mansoni calpain (C02 family) 0.002 0.0045 0.0695
Schistosoma mansoni hypothetical protein 0.0016 0.003 0.0465
Onchocerca volvulus 0.001 0.0005 0.0005
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.003 0.0196
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.2351 1 1
Schistosoma mansoni hypothetical protein 0.0016 0.003 0.0465
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.0178 0.0178
Trypanosoma brucei low molecular weight protein tyrosine phosphatase, putative 0.0725 0.3056 1
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.0005 0.0005
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.003 0.0196
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.016 0.249
Brugia malayi nuclear hormone receptor 0.001 0.0005 0.0005
Loa Loa (eye worm) calpain 5 0.002 0.0045 0.0045
Loa Loa (eye worm) calpain 0.002 0.0045 0.0045
Brugia malayi calpain 7 0.002 0.0045 0.0045
Echinococcus multilocularis calpain A 0.0069 0.0256 0.1677
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA 0.2351 1 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.016 0.1051
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0005 0.0005
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.2351 1 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.003 0.003
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.0005 0.0083
Echinococcus multilocularis voltage dependent calcium channel subunit 0.0167 0.0673 0.441
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.016 0.249
Brugia malayi photoreceptor-specific nuclear receptor 0.001 0.0005 0.0005
Echinococcus granulosus calpain A 0.002 0.0045 0.0293
Loa Loa (eye worm) calpain family protein 1 0.0066 0.0242 0.0242
Echinococcus granulosus calpain 5 0.002 0.0045 0.0293
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0005 0.0035
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.0005 0.0083
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.001 0.0005 0.0005
Echinococcus multilocularis FTZ F1 alpha 0.001 0.0005 0.0035
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0005 0.0005
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0.0005 0.0083
Onchocerca volvulus Bile acid receptor homolog 0.001 0.0005 0.0005
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.0005 0.0083
Schistosoma mansoni hypothetical protein 0.0035 0.011 0.1702
Brugia malayi Nuclear hormone receptor family member nhr-40 0.001 0.0005 0.0005
Echinococcus granulosus calpain 7 C02 family 0.002 0.0045 0.0293
Loa Loa (eye worm) hypothetical protein 0.0046 0.0158 0.0158
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.016 0.249
Brugia malayi nuclear receptor NHR-88 0.001 0.0005 0.0005
Echinococcus granulosus voltage dependent calcium channel subunit 0.0367 0.1526 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0005 0.0005
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.001 0.0005 0.0035
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0005 0.0005
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.0178 0.0178
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.0005 0.0083
Trypanosoma cruzi hypothetical protein, conserved 0.0725 0.3056 1
Schistosoma mansoni coup transcription factor 0.001 0.0005 0.0083
Echinococcus multilocularis calpain 0.002 0.0045 0.0293
Schistosoma mansoni hypothetical protein 0.0086 0.0329 0.5108
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0066 0.0242 0.3751
Plasmodium vivax calpain, putative 0.002 0.0045 0.5
Schistosoma mansoni Mername-AA248 (C02 family) 0.002 0.0045 0.0695
Schistosoma mansoni serine-rich repeat protein 0.0086 0.0329 0.5108
Echinococcus multilocularis GPCR, family 2 0.0016 0.003 0.0196
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.001 0.0005 0.0005
Echinococcus multilocularis calpain 5 0.002 0.0045 0.0293
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.001 0.0005 0.0005
Loa Loa (eye worm) hypothetical protein 0.0035 0.011 0.011
Brugia malayi N-terminal motif family protein 0.0184 0.0747 0.0747
Schistosoma mansoni thyroid hormone receptor 0.001 0.0005 0.0083
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0005 0.0005
Echinococcus granulosus calpain 0.002 0.0045 0.0293
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.001 0.0005 0.0035
Leishmania major hypothetical protein, conserved 0.0725 0.3056 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0005 0.0005
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.001 0.0005 0.0035
Schistosoma mansoni calpain-7 (C02 family) 0.002 0.0045 0.0695
Loa Loa (eye worm) hypothetical protein 0.0066 0.0242 0.0242
Schistosoma mansoni nuclear hormone receptor 0.001 0.0005 0.0083
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0005 0.0035
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.003 0.003
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0184 0.0747 0.0747
Brugia malayi ecdysteroid receptor 0.001 0.0005 0.0005
Brugia malayi Nuclear hormone receptor family member nhr-1 0.001 0.0005 0.0005
Brugia malayi calpain family protein 1 0.0066 0.0242 0.0242
Brugia malayi Nuclear hormone receptor family member nhr-49 0.001 0.0005 0.0005
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.0005 0.0083
Brugia malayi Cache domain containing protein 0.0074 0.0276 0.0276
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.0178 0.0178
Loa Loa (eye worm) hypothetical protein 0.001 0.0005 0.0005
Trypanosoma cruzi hypothetical protein, conserved 0.0725 0.3056 1
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.2351 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.016 0.1051
Loa Loa (eye worm) hypothetical protein 0.0016 0.003 0.003
Schistosoma mansoni hypothetical protein 0.0016 0.003 0.0465
Brugia malayi steroid hormone receptor 0.001 0.0005 0.0005
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.016 0.016
Schistosoma mansoni calpain-7 (C02 family) 0.002 0.0045 0.0695
Brugia malayi Nuclear hormone receptor family member nhr-3 0.001 0.0005 0.0005
Echinococcus granulosus family C2 unassigned peptidase C02 family 0.0069 0.0256 0.1677
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0005 0.0035
Echinococcus granulosus voltage dependent calcium channel subunit 0.0167 0.0673 0.441
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0005 0.0005
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0005 0.0035
Schistosoma mansoni thyroid hormone receptor 0.001 0.0005 0.0083
Loa Loa (eye worm) hypothetical protein 0.0046 0.0158 0.0158
Brugia malayi Nuclear hormone receptor family member nhr-14 0.001 0.0005 0.0005
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.001 0.0005 0.0005
Brugia malayi Steroid receptor seven-up type 2 0.001 0.0005 0.0005
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.2351 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.016 0.1051
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.2351 1 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.001 0.0005 0.0035
Echinococcus granulosus FTZ F1 alpha 0.001 0.0005 0.0035
Echinococcus granulosus retinoic acid receptor rxr beta a 0.001 0.0005 0.0035
Schistosoma mansoni calpain C (C02 family) 0.002 0.0045 0.0695
Echinococcus granulosus ecdysone induced protein 78C 0.001 0.0005 0.0035
Loa Loa (eye worm) phosphotyrosine protein phosphatase 0.2351 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.016 0.1051
Entamoeba histolytica protein tyrosine phosphatase, putative 0.2351 1 1
Brugia malayi Latrophilin receptor protein 2 0.0016 0.003 0.003
Loa Loa (eye worm) hypothetical protein 0.0066 0.0242 0.0242
Loa Loa (eye worm) hypothetical protein 0.001 0.0005 0.0005
Onchocerca volvulus 0.2351 1 1
Brugia malayi calpain family protein 1 0.0066 0.0242 0.0242
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.001 0.0005 0.0035
Schistosoma mansoni dihydropyridine-sensitive l-type calcium channel 0.0081 0.0305 0.4743
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.001 0.0005 0.0035
Echinococcus multilocularis calpain family protein 1, d 0.0046 0.0158 0.1037
Echinococcus multilocularis voltage dependent calcium channel subunit 0.0367 0.1526 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0005 0.0005
Brugia malayi Nuclear hormone receptor family member nhr-41 0.001 0.0005 0.0005
Loa Loa (eye worm) hypothetical protein 0.0184 0.0747 0.0747
Loa Loa (eye worm) hypothetical protein 0.001 0.0005 0.0005
Echinococcus multilocularis hypothetical protein 0.002 0.0045 0.0293
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.0005 0.0083
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0005 0.0005
Schistosoma mansoni dihydropyridine-sensitive l-type calcium channel 0.016 0.0644 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 100 uM Inhibition of human recombinant SIRT1 using Fluor de Lys-SIRT as substrate incubated for 60 mins prior to substrate addition measured after 60 mins by fluorimetric analysis ChEMBL. 22642300
IC50 (binding) > 100 uM Inhibition of human recombinant SIRT2 using Fluor de Lys-SIRT as substrate incubated for 60 mins prior to substrate addition measured after 60 mins by fluorimetric analysis ChEMBL. 22642300

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.

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