Detailed information for compound 421570

Basic information

Technical information
  • TDR Targets ID: 421570
  • Name: 7-amino-2-methylquinoline-5,8-dione
  • MW: 188.183 | Formula: C10H8N2O2
  • H donors: 1 H acceptors: 3 LogP: 0.64 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc2c(n1)C(=O)C(=CC2=O)N
  • InChi: 1S/C10H8N2O2/c1-5-2-3-6-8(13)4-7(11)10(14)9(6)12-5/h2-4H,11H2,1H3
  • InChiKey: SDMIHCWUTXPJKV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 7-amino-2-methyl-quinoline-5,8-dione
  • 7-azanyl-2-methyl-quinoline-5,8-dione
  • 7-amino-2-methyl-quinoline-5,8-quinone

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 Copper type II ascorbate-dependent monooxygenase, N-terminal domain containing protein 0.0065 0.122 0.0789
Trichomonas vaginalis geranylgeranyl transferase type beta subunit, putative 0.0056 0.0752 1
Leishmania major hydroxyacylglutathione hydrolase, putative,glyoxalase II, putative 0.005 0.0468 0.4129
Mycobacterium tuberculosis Halimadienyl diphosphate synthase 0.0061 0.1021 1
Onchocerca volvulus Hydroxyacylglutathione hydrolase, mitochondrial homolog 0.005 0.0468 0.5
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.0056 0.0752 1
Plasmodium vivax unspecified product 0.005 0.0468 0.6232
Chlamydia trachomatis ribonuclease Z 0.005 0.0468 0.5
Toxoplasma gondii prenyltransferase and squalene oxidase repeat-containing protein 0.0056 0.0752 1
Loa Loa (eye worm) hypothetical protein 0.0129 0.4364 0.4087
Echinococcus multilocularis peptidyl glycine alpha amidating monooxygenase 0.0242 1 1
Leishmania major cleavage and polyadenylation specificity factor, putative 0.005 0.0468 0.4129
Schistosoma mansoni peptidyl-glycine monooxygenase 0.0242 1 1
Schistosoma mansoni peptidylglycine monooxygenase 0.0129 0.4364 0.4087
Mycobacterium leprae POSSIBLE HYDROLASE 0.005 0.0468 0.5
Onchocerca volvulus Putative hydrolase PNKD 0.005 0.0468 0.5
Echinococcus granulosus peptidyl glycine alpha amidating monooxygenase 0.0242 1 1
Trypanosoma cruzi protein farnesyltransferase, putative 0.0056 0.0752 0.5127
Treponema pallidum ribonuclease Z 0.005 0.0468 0.5
Leishmania major hypothetical protein, conserved 0.005 0.0468 0.4129
Onchocerca volvulus 0.005 0.0468 0.5
Leishmania major farnesyltransferase beta subunit 0.0056 0.0752 1
Mycobacterium ulcerans hydrolase 0.005 0.0468 0.5
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.0056 0.0752 1
Entamoeba histolytica protein farnesyltransferase beta subunit, putative 0.0056 0.0752 1
Mycobacterium leprae conserved hypothetical protein 0.005 0.0468 0.5
Mycobacterium ulcerans hydrolase 0.005 0.0468 0.5
Plasmodium vivax farnesyltransferase beta subunit, putative 0.0056 0.0752 1
Loa Loa (eye worm) hypothetical protein 0.0242 1 1
Mycobacterium ulcerans hypothetical protein 0.005 0.0468 0.5
Schistosoma mansoni dopamine-beta-monooxygenase 0.0129 0.4364 0.4087
Mycobacterium ulcerans beta lactamase-like protein 0.005 0.0468 0.5
Mycobacterium ulcerans hypothetical protein 0.005 0.0468 0.5
Onchocerca volvulus 0.005 0.0468 0.5
Trichomonas vaginalis type I geranylgeranyltransferase beta subunit, putative 0.0056 0.0752 1
Mycobacterium ulcerans hydrolase 0.005 0.0468 0.5
Giardia lamblia Prenyltransferase 0.0056 0.0752 1
Trypanosoma cruzi lanosterol synthase, putative 0.0061 0.1021 1
Mycobacterium ulcerans hypothetical protein 0.005 0.0468 0.5
Mycobacterium ulcerans hypothetical protein 0.005 0.0468 0.5
Trypanosoma brucei protein farnesyltransferase beta subunit 0.0056 0.0752 0.5127
Brugia malayi Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein 0.0063 0.1125 0.0689
Mycobacterium leprae Beta-lactamase-like protein 0.005 0.0468 0.5
Loa Loa (eye worm) prenyltransferase and squalene oxidase repeat family protein 0.0056 0.0752 0.0297
Mycobacterium ulcerans Zn-dependent glyoxylase 0.005 0.0468 0.5
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.0056 0.0752 1
Leishmania major metallo-beta-lactamase family-like protein 0.005 0.0468 0.4129
Plasmodium falciparum protein farnesyltransferase subunit beta 0.0056 0.0752 1
Trypanosoma cruzi lanosterol synthase, putative 0.0061 0.1021 1
Echinococcus multilocularis protein farnesyltransferase subunit beta 0.0056 0.0752 0.0297
Brugia malayi Prenyltransferase and squalene oxidase repeat family protein 0.0056 0.0752 0.0297
Mycobacterium ulcerans glyoxalase II, GloB 0.005 0.0468 0.5
Plasmodium vivax hydroxyacyl glutathione hydrolase, putative 0.005 0.0468 0.6232
Mycobacterium leprae conserved hypothetical protein 0.005 0.0468 0.5
Brugia malayi Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein 0.0129 0.4364 0.4087
Trichomonas vaginalis geranylgeranyl transferase type I beta subunit, putative 0.0056 0.0752 1
Echinococcus granulosus protein farnesyltransferase subunit beta 0.0056 0.0752 0.0297
Leishmania major metallo-beta-lactamase family protein-like protein 0.005 0.0468 0.4129
Trypanosoma cruzi protein farnesyltransferase, putative 0.0056 0.0752 0.5127
Wolbachia endosymbiont of Brugia malayi metallo-beta-lactamase superfamily hydrolase 0.005 0.0468 0.5
Schistosoma mansoni protein farnesyltransferase subunit beta 0.0056 0.0752 0.0297
Trypanosoma brucei lanosterol synthase 0.0061 0.1021 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) 0 Antiproliferative activity against human SK-N-MC cells by MTT assay ChEMBL. 17904844
IC50 (functional) = 10.31 uM Antiproliferative activity against mouse P388 cells by MTT assay ChEMBL. 17904844
IC50 (functional) = 10.31 uM Antiproliferative activity against mouse P388 cells by MTT assay ChEMBL. 17904844
LC50 (ADMET) 0 Cytotoxicity against rat N-ras transformed NRK N/4.2 cells after 5 days ChEMBL. 17035024
LC50 (ADMET) = 0.6 uM Cytotoxicity against rat H-ras transformed NRK H/1.2 cells after 5 days ChEMBL. 17035024
LC50 (ADMET) = 0.8 uM Cytotoxicity against rat NRK 52E cells after 5 days ChEMBL. 17035024
LC50 (ADMET) = 0.8 uM Cytotoxicity against mouse 3LL cells after 5 days ChEMBL. 17035024
LC50 (ADMET) = 1.3 uM Cytotoxicity against rat K-ras transformed NRK K/1 cells after 5 days ChEMBL. 17035024
log K 0 Lipophilicity, log K of the compound ChEMBL. 17904844

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Mus musculus ChEMBL23 17904844

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

2 literature references were collected for this gene.

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