Detailed information for compound 997403

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 265.307 | Formula: C17H15NO2
  • H donors: 0 H acceptors: 2 LogP: 3.12 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc2c(c1)C(=O)C(=O)N2Cc1ccccc1C
  • InChi: 1S/C17H15NO2/c1-11-7-8-15-14(9-11)16(19)17(20)18(15)10-13-6-4-3-5-12(13)2/h3-9H,10H2,1-2H3
  • InChiKey: ZUXOUBAOYZACOW-UHFFFAOYSA-N  


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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
Leishmania major DNA topoisomerase III, putative 0.0143 0.0457 0.0716
Plasmodium falciparum nicotinamide/nicotinic acid mononucleotide adenylyltransferase 0.0278 0.115 0.111
Loa Loa (eye worm) hypothetical protein 0.0431 0.1938 0.8573
Entamoeba histolytica DNA topoisomerase II, putative 0.0494 0.2261 1
Trypanosoma brucei DNA topoisomerase III, putative 0.0143 0.0457 0.0716
Schistosoma mansoni prokaryotic DNA topoisomerase 0.0143 0.0457 0.1439
Echinococcus granulosus DNA topoisomerase 3 alpha 0.0143 0.0457 0.1317
Trypanosoma cruzi DNA topoisomerase IA, putative 0.0143 0.0457 0.0716
Trichomonas vaginalis DNA topoisomerase II, putative 0.0494 0.2261 1
Echinococcus multilocularis UDP glucose 4 epimerase 0.0097 0.0221 0.0696
Plasmodium falciparum DNA topoisomerase 2 0.0494 0.2261 0.2226
Trypanosoma brucei DNA topoisomerase ii 0.1183 0.5799 1
Mycobacterium leprae PROBABLE NICOTINATE-NUCLEOTIDE ADENYLYLTRANSFERASE NADD (DEAMIDO-NAD(+) PYROPHOSPHORYLASE) (DEAMIDO-NAD(+) DIPHOSPHORYLASE) (NIC 0.0278 0.115 0.3437
Treponema pallidum DNA topoisomerase I (topA) 0.0143 0.0457 0.0414
Chlamydia trachomatis DNA gyrase subunit B 0.1312 0.6461 0.6446
Brugia malayi DNA gyrase/topoisomerase IV, A subunit family protein 0.0494 0.2261 1
Trypanosoma brucei UDP-galactose 4-epimerase 0.0101 0.0241 0.0342
Mycobacterium leprae Probable DNA gyrase (subunit A) GyrA (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (Type II DNA topoisomerase) 0.0122 0.035 0.0949
Plasmodium vivax nicotinate-nucleotide adenylyltransferase, putative 0.0278 0.115 0.111
Brugia malayi Probable DNA topoisomerase II 0.0494 0.2261 1
Mycobacterium ulcerans bifunctional nicotinate-nucleotide adenylyltransferase NadD/hypothetical protein 0.0278 0.115 0.111
Schistosoma mansoni heat shock protein 0.0063 0.0044 0.014
Plasmodium falciparum DNA topoisomerase 3, putative 0.0143 0.0457 0.0414
Loa Loa (eye worm) endoplasmin 0.0063 0.0044 0.0197
Toxoplasma gondii DNA gyrase/topoisomerase IV, A subunit domain-containing protein 0.0256 0.1039 0.177
Trichomonas vaginalis NAD dependent epimerase/dehydratase, putative 0.0097 0.0221 0.0797
Trypanosoma cruzi DNA topoisomerase III, putative 0.0143 0.0457 0.0716
Echinococcus granulosus neuropeptide s receptor 0.045 0.2036 0.6361
Schistosoma mansoni heat shock protein 0.0063 0.0044 0.014
Trypanosoma brucei DNA topoisomerase III, putative 0.0143 0.0457 0.0716
Chlamydia trachomatis DNA topoisomerase I 0.0143 0.0457 0.0414
Treponema pallidum DNA gyrase, subunit B (gyrB) 0.2001 1 1
Wolbachia endosymbiont of Brugia malayi DNA gyrase, topoisomerase II, B subunit, GyrB 0.2001 1 1
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.1183 0.5799 1
Treponema pallidum DNA gyrase, subunit A (gyrA) 0.0256 0.1039 0.0999
Onchocerca volvulus Putative DNA topoisomerase 2, mitochondrial 0.0494 0.2261 1
Loa Loa (eye worm) UDP galactose 4'-epimerase 0.0097 0.0221 0.0978
Echinococcus multilocularis microtubule associated protein 2 0.0672 0.3175 1
Schistosoma mansoni microtubule-associated protein tau 0.0672 0.3175 1
Giardia lamblia UDP-glucose 4-epimerase 0.0101 0.0241 0.104
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.1183 0.5799 1
Trypanosoma cruzi UDP-galactose 4-epimerase, putative 0.0097 0.0221 0.0307
Treponema pallidum hypothetical protein 0.0278 0.115 0.111
Loa Loa (eye worm) hypothetical protein 0.0063 0.0044 0.0197
Giardia lamblia DNA topoisomerase II 0.0431 0.1938 1
Loa Loa (eye worm) DNA topoisomerase III 0.0143 0.0457 0.2021
Leishmania major udp-glc 4-epimerase, putative 0.0101 0.0241 0.0342
Toxoplasma gondii DNA topoisomerase family protein 0.0143 0.0457 0.0734
Brugia malayi hypothetical protein 0.0431 0.1938 0.8545
Leishmania major DNA topoisomerase ii 0.0351 0.1526 0.2574
Plasmodium vivax DNA topoisomerase 3, putative 0.0143 0.0457 0.0414
Plasmodium falciparum DNA gyrase subunit B 0.2001 1 1
Entamoeba histolytica UDP-glucose 4-epimerase, putative 0.0097 0.0221 0.0797
Leishmania major DNA topoisomerase III, putative 0.0143 0.0457 0.0716
Trypanosoma cruzi DNA topoisomerase II, putative 0.0351 0.1526 0.2574
Schistosoma mansoni prokaryotic DNA topoisomerase 0.0143 0.0457 0.1439
Brugia malayi DNA topoisomerase II, alpha isozyme 0.0494 0.2261 1
Echinococcus multilocularis neuropeptide receptor A26 0.045 0.2036 0.6412
Plasmodium vivax DNA gyrase subunit B, putative 0.2001 1 1
Mycobacterium leprae Probable DNA topoisomerase I TopA (omega-protein) (relaxing enzyme) (untwisting enzyme) (swivelase) (type I DNA topoisomerase) ( 0.0143 0.0457 0.1282
Echinococcus multilocularis DNA topoisomerase 2 alpha 0.0494 0.2261 0.7121
Trypanosoma cruzi DNA topoisomerase IA, putative 0.0143 0.0457 0.0716
Mycobacterium tuberculosis DNA gyrase (subunit A) GyrA (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase) 0.0256 0.1039 0.0999
Toxoplasma gondii DNA topoisomerase domain-containing protein 0.0143 0.0457 0.0734
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0494 0.2261 1
Schistosoma mansoni endoplasmin 0.0063 0.0044 0.014
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.0063 0.0044 0.014
Toxoplasma gondii UDP-glucose 4-epimerase 0.0097 0.0221 0.0314
Wolbachia endosymbiont of Brugia malayi DNA gyrase subunit A 0.0256 0.1039 0.0999
Echinococcus multilocularis rho GTPase activating protein 20 0.0143 0.0457 0.1439
Brugia malayi DNA topoisomerase III beta-1 0.0143 0.0457 0.1861
Echinococcus multilocularis DNA topoisomerase 3 beta 1 0.0143 0.0457 0.1439
Trypanosoma cruzi DNA topoisomerase II, putative 0.0351 0.1526 0.2574
Entamoeba histolytica DNA topoisomerase III, putative 0.0143 0.0457 0.1861
Loa Loa (eye worm) heat shock protein 90 0.0063 0.0044 0.0197
Loa Loa (eye worm) TOPoisomerase family member 0.0494 0.2261 1
Echinococcus granulosus microtubule associated protein 2 0.0672 0.3175 1
Giardia lamblia DNA topoisomerase III 0.0143 0.0457 0.2177
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.0063 0.0044 0.014
Echinococcus granulosus UDP glucose 4 epimerase 0.0097 0.0221 0.0564
Echinococcus granulosus neuropeptide receptor A26 0.045 0.2036 0.6361
Trypanosoma cruzi DNA topoisomerase III, putative 0.0143 0.0457 0.0716
Leishmania major DNA topoisomerase 1A 0.0143 0.0457 0.0716
Echinococcus multilocularis neuropeptide s receptor 0.045 0.2036 0.6412
Plasmodium vivax DNA gyrase subunit A, putative 0.0256 0.1039 0.0999
Wolbachia endosymbiont of Brugia malayi topoisomerase IA, TopA 0.0143 0.0457 0.0414
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.1156 0.5662 1
Schistosoma mansoni pyruvate dehydrogenase 0.0063 0.0044 0.014
Brugia malayi GRF zinc finger family protein 0.0143 0.0457 0.1861
Giardia lamblia DNA topoisomerase III 0.0143 0.0457 0.2177
Trichomonas vaginalis NAD dependent epimerase/dehydratase, putative 0.0097 0.0221 0.0797
Brugia malayi DNA topoisomerase III 0.0143 0.0457 0.1861
Mycobacterium ulcerans DNA gyrase subunit B 0.2001 1 1
Trypanosoma cruzi UDP-galactose 4-epimerase 0.0097 0.0221 0.0307
Entamoeba histolytica DNA topoisomerase III, putative 0.0143 0.0457 0.1861
Trypanosoma brucei DNA topoisomerase II alpha, putative 0.0351 0.1526 0.2574
Chlamydia trachomatis DNA gyrase subunit A 0.0256 0.1039 0.0999
Plasmodium falciparum DNA gyrase subunit A 0.0256 0.1039 0.0999
Loa Loa (eye worm) DNA topoisomerase III beta-1 0.0143 0.0457 0.2021
Mycobacterium leprae Probable DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (Type II DNA topoisomerase) 0.0689 0.3261 1
Trypanosoma brucei DNA topoisomerase IA, putative 0.0143 0.0457 0.0716
Echinococcus multilocularis heat shock protein 90 0.0063 0.0044 0.014
Schistosoma mansoni endoplasmin 0.0063 0.0044 0.014
Schistosoma mansoni DNA topoisomerase II 0.0494 0.2261 0.7121
Loa Loa (eye worm) hypothetical protein 0.0324 0.1389 0.6145
Trichomonas vaginalis UDP-glucose 4-epimerase, putative 0.0097 0.0221 0.0797
Trichomonas vaginalis prokaryotic DNA topoisomerase, putative 0.0143 0.0457 0.1861
Loa Loa (eye worm) hypothetical protein 0.0324 0.1389 0.6145
Toxoplasma gondii DNA topoisomerase 2, putative 0.0494 0.2261 0.3945
Leishmania major mitochondrial DNA topoisomerase II 0.1183 0.5799 1
Trypanosoma cruzi DNA topoisomerase III, putative 0.0143 0.0457 0.0716
Brugia malayi UDP galactose 4'-epimerase 0.0097 0.0221 0.0797
Mycobacterium ulcerans DNA topoisomerase I 0.0143 0.0457 0.0414
Trypanosoma brucei DNA topoisomerase II beta, putative 0.0351 0.1526 0.2574
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0494 0.2261 1
Plasmodium vivax DNA topoisomerase II, putative 0.0494 0.2261 0.2226
Echinococcus granulosus DNA topoisomerase 2 alpha 0.0494 0.2261 0.708
Trichomonas vaginalis prokaryotic DNA topoisomerase, putative 0.0143 0.0457 0.1861
Mycobacterium tuberculosis Probable nicotinate-nucleotide adenylyltransferase NadD (deamido-NAD(+) pyrophosphorylase) (deamido-NAD(+) diphosphorylase) (nic 0.0278 0.115 0.111
Echinococcus granulosus DNA topoisomerase 3 beta 1 0.0143 0.0457 0.1317
Onchocerca volvulus 0.0431 0.1938 0.8212
Loa Loa (eye worm) hypothetical protein 0.0431 0.1938 0.8573
Mycobacterium tuberculosis DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase) 0.2001 1 1
Schistosoma mansoni UDP-glucose 4-epimerase 0.0097 0.0221 0.0696
Echinococcus multilocularis heat shock protein 0.0063 0.0044 0.014
Mycobacterium ulcerans DNA gyrase subunit A 0.0256 0.1039 0.0999

Activities

Activity type Activity value Assay description Source Reference
%max (binding) = 20.19 % Activation of rat muscarinic M1 receptor expressed in CHO cells co-expressing Gq protein assessed as potentiation of acetylcholine-induced intracellular Ca2+ mobilization at 30 uM relative to acetylcholine ChEMBL. 19438238
%max (binding) = 29.85 % Activation of human muscarinic M5 receptor expressed in CHO cells coexpressing Gq protein assessed as potentiation of acetylcholine-induced intracellular Ca2+ mobilization at 30 uM relative to acetylcholine ChEMBL. 19438238

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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