Detailed information for compound 1628016

Basic information

Technical information
  • TDR Targets ID: 1628016
  • Name: 2-naphthalen-2-yl-2,3-dihydro-1H-quinazolin-4 -one
  • MW: 274.317 | Formula: C18H14N2O
  • H donors: 2 H acceptors: 1 LogP: 3.83 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1NC(Nc2c1cccc2)c1ccc2c(c1)cccc2
  • InChi: 1S/C18H14N2O/c21-18-15-7-3-4-8-16(15)19-17(20-18)14-10-9-12-5-1-2-6-13(12)11-14/h1-11,17,19H,(H,20,21)
  • InChiKey: FPWOVEKUXZJCTE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-(2-naphthyl)-2,3-dihydro-1H-quinazolin-4-one
  • NCI60_001165
  • T5644357
  • Oprea1_157534
  • NSC158390

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Entamoeba histolytica kinase, PfkB family 0.006 0.0273 1
Brugia malayi hypothetical protein 0.002 0.0013 0.0013
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0009 0.0075
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0083 0.304
Entamoeba histolytica Hypothetical protein T24C12.3, putative 0.006 0.0273 1
Brugia malayi hypothetical protein 0.003 0.0083 0.0083
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.0382 0.0382
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0083 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0382 0.3147
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0037 0.0124 0.0124
Schistosoma mansoni hypothetical protein 0.0041 0.0153 0.1257
Trypanosoma brucei adenosine kinase, putative 0.006 0.0273 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0026 0.0057 0.0057
Loa Loa (eye worm) cytochrome P450 family protein 0.0056 0.0247 0.0247
Leishmania major putative PfkB family sugar kinase 0.006 0.0273 1
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0019 0.0009 0.0339
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0009 0.0339
Loa Loa (eye worm) CYP4Cod1 0.0026 0.0057 0.0057
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0382 0.3147
Schistosoma mansoni hypothetical protein 0.0019 0.0009 0.0075
Trypanosoma brucei cytochrome P450, putative 0.0026 0.0057 0.2078
Echinococcus granulosus adenosine kinase 0.006 0.0273 0.2249
Echinococcus granulosus GPCR family 2 0.0019 0.0009 0.0075
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0009 0.0075
Brugia malayi hypothetical protein 0.0043 0.0168 0.0168
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0276 0.0276
Schistosoma mansoni voltage-gated potassium channel 0.004 0.0146 0.1205
Leishmania major tagatose-6-phosphate kinase-like protein 0.006 0.0273 1
Schistosoma mansoni voltage-gated potassium channel 0.004 0.0146 0.1205
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0009 0.0009
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0009 0.0075
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0382 0.3147
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0083 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0276 0.0276
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.0822 0.0822
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0083 0.304
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0083 0.304
Brugia malayi TAR-binding protein 0.0076 0.0382 0.0382
Leishmania major adenosine kinase, putative 0.006 0.0273 1
Trypanosoma cruzi cytochrome P450, putative 0.0026 0.0057 0.2078
Brugia malayi isocitrate dehydrogenase 0.0019 0.0009 0.0009
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0153 0.0153
Echinococcus granulosus pseudouridine metabolizing bifunctional protein 0.006 0.0273 0.2249
Trypanosoma cruzi ribokinase, putative 0.006 0.0273 1
Mycobacterium ulcerans fructokinase, PfkB 0.006 0.0273 1
Echinococcus multilocularis pseudouridine metabolizing bifunctional protein 0.006 0.0273 0.2249
Trypanosoma brucei ribokinase, putative 0.006 0.0273 1
Brugia malayi Ribokinase 0.006 0.0273 0.0273
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0009 0.0009
Loa Loa (eye worm) hypothetical protein 0.003 0.0083 0.0083
Loa Loa (eye worm) cytochrome P450 family protein 0.0026 0.0057 0.0057
Schistosoma mansoni hypothetical protein 0.0043 0.0168 0.138
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0083 1
Trichomonas vaginalis ribokinase, putative 0.006 0.0273 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0009 0.0075
Brugia malayi Isocitrate dehydrogenase 0.0019 0.0009 0.0009
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0276 0.0276
Loa Loa (eye worm) isocitrate dehydrogenase 0.0019 0.0009 0.0009
Trypanosoma cruzi cytochrome P450, putative 0.0026 0.0057 0.2078
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0168 0.138
Leishmania major adenosine kinase-like protein 0.006 0.0273 1
Loa Loa (eye worm) hypothetical protein 0.006 0.0273 0.0273
Toxoplasma gondii isocitrate dehydrogenase 0.0019 0.0009 0.0339
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0382 0.3147
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0019 0.0009 0.0339
Leishmania major adenosine kinase-like protein 0.006 0.0273 1
Loa Loa (eye worm) hypothetical protein 0.006 0.0276 0.0276
Leishmania major cytochrome p450-like protein 0.0026 0.0057 0.2078
Echinococcus multilocularis isocitrate dehydrogenase 0.0019 0.0009 0.0076
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0168 0.138
Trypanosoma cruzi adenosine kinase, putative 0.006 0.0273 1
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0019 0.0009 0.0076
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0019 0.0009 0.0076
Brugia malayi Cytochrome P450 family protein 0.0026 0.0057 0.0057
Trichomonas vaginalis ribokinase, putative 0.006 0.0273 1
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0009 0.0339
Loa Loa (eye worm) hypothetical protein 0.0041 0.0153 0.0153
Entamoeba histolytica ribokinase, putative 0.006 0.0273 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0009 0.0076
Schistosoma mansoni ribokinase 0.006 0.0273 0.2249
Brugia malayi Cytochrome P450 family protein 0.0056 0.0247 0.0247
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0083 0.304
Trypanosoma brucei adenosine kinase, putative 0.006 0.0273 1
Loa Loa (eye worm) RNA binding protein 0.0076 0.0382 0.0382
Leishmania major ribokinase, putative 0.006 0.0273 1
Trypanosoma cruzi adenosine kinase, putative 0.006 0.0273 1
Mycobacterium ulcerans carbohydrate kinase CbhK 0.006 0.0273 1
Schistosoma mansoni adenosine kinase 0.006 0.0273 0.2249
Loa Loa (eye worm) hypothetical protein 0.1557 1 1
Mycobacterium tuberculosis Ribokinase RbsK 0.006 0.0273 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0009 0.0009
Brugia malayi RNA binding protein 0.0076 0.0382 0.0382
Echinococcus multilocularis tar DNA binding protein 0.0076 0.0382 0.3147
Entamoeba histolytica tagatose-6-phosphate kinase, putative 0.006 0.0273 1
Brugia malayi Adenosine kinase-like 0.006 0.0273 0.0273
Trichomonas vaginalis conserved hypothetical protein 0.006 0.0273 1
Schistosoma mansoni hypothetical protein 0.0205 0.1214 1
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0019 0.0009 0.0076
Schistosoma mansoni hypothetical protein 0.0019 0.0009 0.0075
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0009 0.0009
Trypanosoma cruzi adenosine kinase, putative 0.006 0.0273 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0009 0.0076
Mycobacterium leprae Probable adenosine kinase adk 0.006 0.0273 1
Echinococcus multilocularis ribokinase 0.006 0.0273 0.2249
Mycobacterium tuberculosis 6-phosphofructokinase PfkB (phosphohexokinase) (phosphofructokinase) 0.006 0.0273 1
Toxoplasma gondii kinase, pfkB family protein 0.006 0.0273 1
Leishmania major tagatose-6-phosphate kinase-like protein 0.006 0.0273 1
Leishmania major hypothetical protein, conserved 0.003 0.0083 0.304
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0009 0.0076
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0019 0.0009 0.0339
Echinococcus granulosus tar DNA binding protein 0.0076 0.0382 0.3147
Loa Loa (eye worm) hypothetical protein 0.0032 0.0093 0.0093
Schistosoma mansoni hypothetical protein 0.0019 0.0009 0.0075
Trypanosoma cruzi adenosine kinase, putative 0.006 0.0273 1
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0168 0.138
Loa Loa (eye worm) TAR-binding protein 0.0076 0.0382 0.0382
Loa Loa (eye worm) hypothetical protein 0.006 0.0273 0.0273
Toxoplasma gondii isocitrate dehydrogenase 0.0019 0.0009 0.0339
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.0382 0.0382
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0037 0.0124 0.0124
Echinococcus granulosus geminin 0.0205 0.1214 1
Entamoeba histolytica fructokinase, putative 0.006 0.0273 1
Echinococcus granulosus ribokinase 0.006 0.0273 0.2249
Echinococcus multilocularis adenosine kinase 0.006 0.0273 0.2249
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0026 0.0057 0.2078
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0037 0.0124 0.1024
Giardia lamblia Ribokinase 0.006 0.0273 0.5
Trypanosoma brucei ribokinase, putative 0.006 0.0273 1
Schistosoma mansoni adenosine kinase 0.006 0.0273 0.2249
Toxoplasma gondii kinase, pfkB family protein 0.006 0.0273 1
Trichomonas vaginalis ribokinase, putative 0.006 0.0273 1
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0037 0.0124 0.1024
Schistosoma mansoni hypothetical protein 0.0205 0.1214 1
Echinococcus multilocularis geminin 0.0205 0.1214 1
Mycobacterium tuberculosis Adenosine kinase 0.006 0.0273 1
Onchocerca volvulus 0.1557 1 1
Brugia malayi MH2 domain containing protein 0.0144 0.0822 0.0822
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0009 0.0339
Brugia malayi Cytochrome P450 family protein 0.0026 0.0057 0.0057
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.0822 0.0822
Echinococcus multilocularis GPCR, family 2 0.0019 0.0009 0.0075
Schistosoma mansoni hypothetical protein 0.0019 0.0009 0.0075
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0382 0.3147

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4.817 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.7 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.685 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.611 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.435 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.318 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.305 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.188 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.6234 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.9433 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.