Detailed information for compound 1404666

Basic information

Technical information
  • TDR Targets ID: 1404666
  • Name: 6,8-dimethyl-4-(4-nitrophenyl)-1H-quinolin-2- one
  • MW: 294.305 | Formula: C17H14N2O3
  • H donors: 1 H acceptors: 4 LogP: 4.35 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cc(C)c2c(c1)c(cc(n2)O)c1ccc(cc1)[N+](=O)[O-]
  • InChi: 1S/C17H14N2O3/c1-10-7-11(2)17-15(8-10)14(9-16(20)18-17)12-3-5-13(6-4-12)19(21)22/h3-9H,1-2H3,(H,18,20)
  • InChiKey: HQXKRVJSXVJHII-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 6,8-dimethyl-4-(4-nitrophenyl)carbostyril
  • Oprea1_512591
  • ZINC00127961
  • T0513-9598
  • MLS000761520
  • SMR000371625

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Toxoplasma gondii heat shock protein 75, putative 0.0569 0.2588 0.2588
Mycobacterium ulcerans heat shock protein 90 0.1107 0.7443 1
Trichomonas vaginalis heat shock protein, putative 0.1107 0.7443 0.7443
Echinococcus multilocularis heat shock protein 75 kDa, mitochondrial 0.0569 0.2588 0.2588
Loa Loa (eye worm) hypothetical protein 0.0286 0.0023 0.0023
Trichomonas vaginalis heat shock protein, putative 0.1107 0.7443 0.7443
Trichomonas vaginalis heat shock protein, putative 0.0853 0.5145 0.5145
Toxoplasma gondii Hsp90 domain-containing protein 0.0569 0.2588 0.2588
Trypanosoma cruzi heat shock protein 85, putative 0.1107 0.7443 0.7443
Leishmania major heat shock protein, putative 0.0569 0.2588 0.2588
Plasmodium falciparum endoplasmin, putative 0.0853 0.5145 0.5145
Plasmodium vivax heat shock protein 90, putative 0.0569 0.2588 0.2588
Leishmania major lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative 0.1107 0.7443 0.7443
Brugia malayi hypothetical protein 0.0286 0.0023 0.0023
Giardia lamblia Grp94/Hsp90 0.1107 0.7443 0.7443
Plasmodium falciparum heat shock protein 90, putative 0.0569 0.2588 0.2588
Trichomonas vaginalis heat shock protein, putative 0.1107 0.7443 0.7443
Brugia malayi Hsp90 protein 0.0569 0.2588 0.2588
Entamoeba histolytica 90 kDa heat shock protein, putative 0.0569 0.2588 0.2588
Trichomonas vaginalis heat shock protein, putative 0.0569 0.2588 0.2588
Echinococcus granulosus heat shock protein heat shock protein 90 alpha 0.1107 0.7443 0.7443
Onchocerca volvulus Heat shock protein 75 kDa, mitochondrial homolog 0.0569 0.2588 1
Mycobacterium leprae PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G) 0.1107 0.7443 1
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 0.1107 0.7443 1
Giardia lamblia Heat shock protein HSP 90-alpha 0.1107 0.7443 0.7443
Trichomonas vaginalis endoplasmin, putative 0.0853 0.5145 0.5145
Plasmodium vivax heat shock protein, putative 0.0569 0.2588 0.2588
Schistosoma mansoni heat shock protein 0.0569 0.2588 0.2588
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.0023 0.0023
Echinococcus granulosus endoplasmin 0.1107 0.7443 0.7443
Loa Loa (eye worm) heat shock protein 75 0.0569 0.2588 0.2588
Mycobacterium tuberculosis Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G) 0.1107 0.7443 1
Trypanosoma brucei heat shock protein 84, putative 0.0569 0.2588 0.2588
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.0023 0.0023
Plasmodium falciparum heat shock protein 90, putative 0.0569 0.2588 0.2588
Treponema pallidum heat shock protein 90 0.1107 0.7443 1
Echinococcus multilocularis endoplasmin 0.1107 0.7443 0.7443
Echinococcus multilocularis heat shock protein 90 0.1107 0.7443 0.7443
Echinococcus granulosus heat shock protein 75 kDa mitochondrial 0.0569 0.2588 0.2588
Trypanosoma cruzi heat shock protein, putative 0.0569 0.2588 0.2588
Trypanosoma cruzi heat shock protein 90, putative 0.082 0.4855 0.4855
Trypanosoma cruzi heat shock protein 90, putative 0.1107 0.7443 0.7443
Echinococcus granulosus heat shock protein 90 0.1107 0.7443 0.7443

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.2818 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.5929 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 6.3096 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 63.0957 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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