Detailed information for compound 302044

Basic information

Technical information
  • TDR Targets ID: 302044
  • Name: 2-propan-2-ylquinoline
  • MW: 171.238 | Formula: C12H13N
  • H donors: 0 H acceptors: 1 LogP: 3.35 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(c1ccc2c(n1)cccc2)C
  • InChi: 1S/C12H13N/c1-9(2)11-8-7-10-5-3-4-6-12(10)13-11/h3-9H,1-2H3
  • InChiKey: QQKLFCIOCMYHJV-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-isopropylquinoline
  • AIDS-188917
  • AIDS188917
  • Quinoline, 2-(1-methylethyl)-
  • Quinoline, 2-isopropyl-

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
Loa Loa (eye worm) hypothetical protein 0.0084 0.0437 0.0416
Onchocerca volvulus Putative DNA topoisomerase 2, mitochondrial 0.0191 0.4822 0.5
Plasmodium falciparum DNA gyrase subunit B 0.0165 0.3748 0.4068
Loa Loa (eye worm) hypothetical protein 0.0115 0.1703 0.1906
Mycobacterium tuberculosis DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase) 0.0165 0.3748 0.5
Plasmodium vivax DNA topoisomerase II, putative 0.0283 0.8581 1
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0084 0.0434 1
Loa Loa (eye worm) hypothetical protein 0.0168 0.3868 0.4454
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0165 0.3748 0.4068
Entamoeba histolytica DNA topoisomerase II, putative 0.0283 0.8581 0.5
Schistosoma mansoni hypothetical protein 0.0168 0.3868 0.4215
Plasmodium falciparum DNA topoisomerase 2 0.0283 0.8581 1
Wolbachia endosymbiont of Brugia malayi DNA gyrase, topoisomerase II, B subunit, GyrB 0.0165 0.3748 1
Toxoplasma gondii DNA topoisomerase 2, putative 0.0283 0.8581 1
Loa Loa (eye worm) hypothetical protein 0.0192 0.4833 0.559
Loa Loa (eye worm) hypothetical protein 0.0192 0.4833 0.559
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0191 0.4822 0.5
Echinococcus multilocularis DNA topoisomerase 2 alpha 0.0283 0.8581 1
Brugia malayi DNA gyrase/topoisomerase IV, A subunit family protein 0.0283 0.8581 1
Plasmodium vivax DNA gyrase subunit B, putative 0.0165 0.3748 0.4068
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0318 1 1
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0191 0.4822 0.5
Loa Loa (eye worm) hypothetical protein 0.0084 0.0434 0.0412
Treponema pallidum DNA gyrase, subunit B (gyrB) 0.0165 0.3748 1
Chlamydia trachomatis DNA gyrase subunit B 0.0165 0.3748 1
Echinococcus granulosus small conductance calcium activated potassium 0.0168 0.3868 0.4215
Chlamydia trachomatis DNA gyrase subunit B 0.013 0.2329 0.5718
Loa Loa (eye worm) TOPoisomerase family member 0.0283 0.8581 1
Schistosoma mansoni calcium-activated potassium channel 0.0168 0.3868 0.4215
Trypanosoma brucei DNA topoisomerase ii 0.0318 1 1
Schistosoma mansoni DNA topoisomerase II 0.0283 0.8581 1
Echinococcus multilocularis small conductance calcium activated potassium 0.0168 0.3868 0.4215
Trichomonas vaginalis DNA topoisomerase II, putative 0.0283 0.8581 0.5
Loa Loa (eye worm) hypothetical protein 0.0115 0.1703 0.1906
Giardia lamblia DNA topoisomerase II 0.0268 0.7977 0.5
Echinococcus granulosus DNA topoisomerase 2 alpha 0.0283 0.8581 1
Mycobacterium ulcerans DNA gyrase subunit B 0.0165 0.3748 1
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0318 1 1
Brugia malayi DNA topoisomerase II, alpha isozyme 0.0283 0.8581 1
Schistosoma mansoni calcium-activated potassium channel 0.016 0.3532 0.3803
Brugia malayi Probable DNA topoisomerase II 0.0283 0.8581 1

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = 0 % Inhibitory activity against human T-lymphotropic virus type 1 (HTLV-1) infected HUT-102 cells at 10 microM. ChEMBL. 12617915

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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