Detailed information for compound 36632

Basic information

Technical information
  • TDR Targets ID: 36632
  • Name: 2,4-dichloro-N,N,3-trimethylquinolin-7-amine
  • MW: 255.143 | Formula: C12H12Cl2N2
  • H donors: 0 H acceptors: 1 LogP: 4.27 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(c1ccc2c(c1)nc(c(c2Cl)C)Cl)C
  • InChi: 1S/C12H12Cl2N2/c1-7-11(13)9-5-4-8(16(2)3)6-10(9)15-12(7)14/h4-6H,1-3H3
  • InChiKey: FBIHTPNZQCZNTF-UHFFFAOYSA-N  

Network

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Synonyms

  • 2,4-dichloro-N,N,3-trimethyl-quinolin-7-amine
  • 2,4-dichloro-N,N,3-trimethyl-7-quinolinamine
  • (2,4-dichloro-3-methyl-7-quinolyl)-dimethyl-amine
  • 7-Quinolinamine, 2,4-dichloro-N,N,3-trimethyl-
  • AIDS-166371
  • AIDS166371

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
Mycobacterium ulcerans aminopeptidase N PepN 0.0025 0 0.5
Toxoplasma gondii aminopeptidase N, putative 0.0025 0 0.5
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0025 0 0.5
Toxoplasma gondii aminopeptidase N protein 0.0025 0 0.5
Plasmodium falciparum M1-family alanyl aminopeptidase 0.0025 0 0.5
Trypanosoma cruzi serine peptidase, Clan SC, Family S10, putative 0.0027 0.004 1
Entamoeba histolytica aminopeptidase, putative 0.0025 0 0.5
Echinococcus multilocularis lysosomal protective protein 0.0027 0.004 0.004
Trypanosoma cruzi serine peptidase, Clan SC, Family S10, putative 0.0027 0.004 1
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) 0.0478 1 1
Brugia malayi hypothetical protein 0.022 0.4294 1
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0025 0 0.5
Schistosoma mansoni family S10 non-peptidase homologue (S10 family) 0.0027 0.004 0.004
Brugia malayi Serine carboxypeptidase F41C3.5 precursor 0.0027 0.004 0.0093
Toxoplasma gondii aminopeptidase n, putative 0.0025 0 0.5
Echinococcus multilocularis leukotriene A 4 hydrolase 0.0478 1 1
Trypanosoma brucei serine peptidase, Clan SC, Family S10 0.0027 0.004 1
Schistosoma mansoni family S10 unassigned peptidase (S10 family) 0.0027 0.004 0.004
Plasmodium falciparum M1-family alanyl aminopeptidase, putative 0.0025 0 0.5
Trypanosoma brucei serine peptidase, Clan SC, Family S10 0.0027 0.004 1
Mycobacterium ulcerans aminopeptidase N PepN 0.0025 0 0.5
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0025 0 0.5
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0025 0 0.5
Onchocerca volvulus Uncharacterized serine carboxypeptidase homolog 0.0027 0.004 1
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0025 0 0.5
Trypanosoma brucei serine peptidase, Clan SC, Family S10 0.0027 0.004 1
Echinococcus granulosus lysosomal protective protein 0.0027 0.004 0.004
Trypanosoma cruzi serine carboxypeptidase (CBP1), putative 0.0027 0.004 1
Trypanosoma cruzi serine carboxypeptidase (CBP1), putative 0.0027 0.004 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.004 0.004
Leishmania major serine carboxypeptidase (CBP1), putative,serine peptidase, Clan SC, Family S10 0.0027 0.004 1
Loa Loa (eye worm) leukotriene A4 hydrolase 0.0478 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 13 ug ml-1 Inhibitory activity against herpes simplex virus type-1 (HSV-1) replication in KB cells ChEMBL. 2838633
IC50 (functional) > 32 ug ml-1 In vitro cytotoxicity against herpes simplex virus type-1 (HSV-1) HF strain in infected KB cells; Low drug solubility ChEMBL. 2838633
Therapeutic index (ADMET) = 2 In vitro therapeutic index as ratio of cytotoxicity to inhibition of viral replication ChEMBL. 2838633

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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