Detailed information for compound 874643

Basic information

Technical information
  • TDR Targets ID: 874643
  • Name: 6,8-dichloro-4-(4-fluorophenyl)-3a,4,5,9b-tet rahydro-3H-cyclopenta[c]quinoline
  • MW: 334.215 | Formula: C18H14Cl2FN
  • H donors: 1 H acceptors: 0 LogP: 5.73 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)C1Nc2c(Cl)cc(cc2C2C1CC=C2)Cl
  • InChi: 1S/C18H14Cl2FN/c19-11-8-15-13-2-1-3-14(13)17(22-18(15)16(20)9-11)10-4-6-12(21)7-5-10/h1-2,4-9,13-14,17,22H,3H2
  • InChiKey: IFPNQZNVTLNVKT-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • Oprea1_424682
  • Oprea1_623817
  • AG-690/11669288
  • 6,8-Dichloro-4-(4-fluoro-phenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
  • BAS 00670106
  • ChemDiv1_001284

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 0.1048 0.246 0.9204
Leishmania major carbonic anhydrase family protein, putative 0.3145 1 1
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0698 0.1204 0.1105
Wolbachia endosymbiont of Brugia malayi DNA gyrase, topoisomerase II, B subunit, GyrB 0.0363 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0488 0.0448 0.1321
Toxoplasma gondii hypothetical protein 0.0394 0.0112 0.0419
Loa Loa (eye worm) hypothetical protein 0.0741 0.1357 0.4882
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0698 0.1204 0.4281
Plasmodium falciparum DNA topoisomerase 2 0.1104 0.2663 1
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0698 0.1204 0.1105
Plasmodium falciparum carbonic anhydrase 0.0394 0.0112 0.0419
Trichomonas vaginalis conserved hypothetical protein 0.2381 0.7254 1
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0698 0.1204 0.4281
Loa Loa (eye worm) hypothetical protein 0.0741 0.1357 0.4882
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0801 0.1572 0.5
Brugia malayi DNA gyrase/topoisomerase IV, A subunit family protein 0.1104 0.2663 1
Loa Loa (eye worm) carbonic anhydrase 3 0.0698 0.1204 0.4281
Loa Loa (eye worm) hypothetical protein 0.0488 0.0448 0.1321
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0868 0.1815 0.5768
Trichomonas vaginalis conserved hypothetical protein 0.2381 0.7254 1
Brugia malayi Probable DNA topoisomerase II 0.1104 0.2663 1
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0801 0.1572 0.5
Mycobacterium ulcerans carbonic anhydrase 0.2381 0.7254 0.7254
Echinococcus granulosus DNA topoisomerase 2 alpha 0.1104 0.2663 1
Trypanosoma brucei DNA topoisomerase II alpha, putative 0.0993 0.2264 1
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0868 0.1815 0.5768
Loa Loa (eye worm) TOPoisomerase family member 0.1104 0.2663 1
Trypanosoma cruzi DNA topoisomerase II, putative 0.0993 0.2264 1
Leishmania major mitochondrial DNA topoisomerase II 0.0868 0.1815 0.0695
Plasmodium vivax DNA topoisomerase II, putative 0.1104 0.2663 1
Trypanosoma cruzi DNA topoisomerase II, putative 0.0993 0.2264 1
Schistosoma mansoni DNA topoisomerase II 0.1104 0.2663 0.258
Schistosoma mansoni carbonic anhydrase 0.3145 1 1
Echinococcus granulosus carbonic anhydrase II 0.0698 0.1204 0.4281
Echinococcus multilocularis carbonic anhydrase II 0.0698 0.1204 0.4281
Echinococcus multilocularis DNA topoisomerase 2 alpha 0.1104 0.2663 1
Leishmania major DNA topoisomerase ii 0.0993 0.2264 0.1205
Brugia malayi DNA topoisomerase II, alpha isozyme 0.1104 0.2663 1
Trypanosoma brucei DNA topoisomerase II beta, putative 0.0993 0.2264 1
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0698 0.1204 0.4281
Treponema pallidum DNA gyrase, subunit B (gyrB) 0.0363 0 0.5
Toxoplasma gondii DNA topoisomerase 2, putative 0.1104 0.2663 1
Mycobacterium tuberculosis Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase) 0.1629 0.4551 0.9087
Trypanosoma brucei DNA topoisomerase ii 0.0868 0.1815 0.5768
Chlamydia trachomatis DNA gyrase subunit B 0.0599 0.0848 1
Mycobacterium ulcerans carbonic anhydrase 0.3145 1 1
Giardia lamblia DNA topoisomerase II 0.1055 0.2488 0.5
Onchocerca volvulus Putative DNA topoisomerase 2, mitochondrial 0.0801 0.1572 0.5
Mycobacterium tuberculosis Beta-carbonic anhydrase CanB 0.1757 0.5008 1
Mycobacterium leprae CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) 0.3145 1 0.5
Mycobacterium tuberculosis Beta-carbonic anhydrase 0.0993 0.2262 0.4517

Activities

No activities found for this compound.

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

No literature references available for this target.

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