Detailed information for compound 338440

Basic information

Technical information
  • TDR Targets ID: 338440
  • Name: 1,5-dichloronaphthalene
  • MW: 197.061 | Formula: C10H6Cl2
  • H donors: 0 H acceptors: 0 LogP: 4.43 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1cccc2c1cccc2Cl
  • InChi: 1S/C10H6Cl2/c11-9-5-1-3-7-8(9)4-2-6-10(7)12/h1-6H
  • InChiKey: ZBQZXTBAGBTUAD-UHFFFAOYSA-N  

Network

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Synonyms

  • 1825-30-5
  • InChI=1/C10H6Cl2/c11-9-5-1-3-7-8(9)4-2-6-10(7)12/h1-6
  • EINECS 217-364-3
  • Naphthalene, 1,5-dichloro-

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cytochrome P450, family 2, subfamily A, polypeptide 6 Starlite/ChEMBL References
Mus musculus cytochrome P450, family 2, subfamily a, polypeptide 5 Starlite/ChEMBL References
Homo sapiens cytochrome P450, family 1, subfamily A, polypeptide 2 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi cytochrome P450 cytochrome P450, family 2, subfamily A, polypeptide 6 494 aa 485 aa 32.8 %
Brugia malayi cytochrome P450 cytochrome P450, family 2, subfamily a, polypeptide 5 494 aa 484 aa 32.6 %
Brugia malayi Cytochrome P450 family protein cytochrome P450, family 1, subfamily A, polypeptide 2 516 aa 470 aa 26.2 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0036 0.0347 0.4125
Toxoplasma gondii ribonuclease HI protein 0.0047 0.0841 1
Leishmania major ribonuclease H1, putative 0.0047 0.0841 1
Echinococcus granulosus tar DNA binding protein 0.0137 0.4839 1
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0036 0.0347 0.4125
Echinococcus granulosus GPCR family 2 0.0054 0.1155 0.1798
Giardia lamblia Ribonuclease H 0.0047 0.0841 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0117 0.394 0.394
Loa Loa (eye worm) MH2 domain-containing protein 0.0253 1 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0171 0.6341 0.6341
Brugia malayi RNase H family protein 0.0047 0.0841 0.0841
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0036 0.0347 0.0527
Loa Loa (eye worm) latrophilin receptor protein 2 0.0054 0.1155 0.1155
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0054 0.1155 0.1798
Brugia malayi Isocitrate dehydrogenase 0.0036 0.0347 0.0347
Trypanosoma brucei ribonuclease H1 0.0047 0.0841 0.1278
Toxoplasma gondii isocitrate dehydrogenase 0.0036 0.0347 0.4125
Trypanosoma brucei hypothetical protein, conserved 0.0051 0.1018 0.1548
Schistosoma mansoni tar DNA-binding protein 0.0137 0.4839 0.7208
Loa Loa (eye worm) hypothetical protein 0.0054 0.1155 0.1155
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0036 0.0347 1
Brugia malayi RNase H family protein 0.0047 0.0841 0.0841
Loa Loa (eye worm) RNA binding protein 0.0137 0.4839 0.4839
Brugia malayi RNase H family protein 0.0047 0.0841 0.0841
Schistosoma mansoni tar DNA-binding protein 0.0137 0.4839 0.7208
Trypanosoma brucei retrotransposon hot spot protein 4 (RHS4), interrupted 0.0051 0.1018 0.1548
Trypanosoma cruzi ribonuclease H1, putative 0.0047 0.0841 1
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0036 0.0347 0.0527
Trypanosoma cruzi ribonuclease H1, putative 0.0047 0.0841 1
Schistosoma mansoni hypothetical protein 0.0054 0.1155 0.1296
Schistosoma mansoni hypothetical protein 0.0176 0.6579 1
Schistosoma mansoni hypothetical protein 0.0117 0.394 0.5766
Brugia malayi TAR-binding protein 0.0137 0.4839 0.4839
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0137 0.4839 0.4839
Schistosoma mansoni tar DNA-binding protein 0.0137 0.4839 0.7208
Echinococcus granulosus ribonuclease H1 0.0047 0.0841 0.11
Toxoplasma gondii isocitrate dehydrogenase 0.0036 0.0347 0.4125
Trypanosoma brucei ingi protein (ORF1) 0.0051 0.1018 0.1548
Brugia malayi Calcitonin receptor-like protein seb-1 0.0171 0.6341 0.6341
Loa Loa (eye worm) isocitrate dehydrogenase 0.0036 0.0347 0.0347
Brugia malayi isocitrate dehydrogenase 0.0036 0.0347 0.0347
Brugia malayi RNA binding protein 0.0137 0.4839 0.4839
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0054 0.1155 0.1155
Trichomonas vaginalis ribonuclease H1, putative 0.0047 0.0841 0.5
Loa Loa (eye worm) hypothetical protein 0.0117 0.394 0.394
Loa Loa (eye worm) TAR-binding protein 0.0137 0.4839 0.4839
Schistosoma mansoni phosphoglucomutase 0.0047 0.0841 0.0793
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0054 0.1155 0.1798
Schistosoma mansoni tar DNA-binding protein 0.0137 0.4839 0.7208
Brugia malayi RNA recognition motif domain containing protein 0.0137 0.4839 0.4839
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0054 0.1155 0.1798
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0036 0.0347 1
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0036 0.0347 0.5
Echinococcus multilocularis GPCR, family 2 0.0054 0.1155 0.1798
Loa Loa (eye worm) hypothetical protein 0.0171 0.6341 0.6341
Treponema pallidum ribonuclease H (rnhA) 0.0047 0.0841 0.5
Trypanosoma brucei ingi protein (ORF1) 0.0051 0.1018 0.1548
Schistosoma mansoni hypothetical protein 0.0054 0.1155 0.1296
Onchocerca volvulus Ribonuclease H1 homolog 0.0047 0.0841 0.5
Trypanosoma brucei unspecified product 0.0051 0.1018 0.1548
Schistosoma mansoni phosphoglucomutase 0.0047 0.0841 0.0793
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0171 0.6341 0.6341
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0054 0.1155 0.1798
Schistosoma mansoni hypothetical protein 0.0054 0.1155 0.1296
Loa Loa (eye worm) transcription factor SMAD2 0.0253 1 1
Schistosoma mansoni tar DNA-binding protein 0.0137 0.4839 0.7208
Trypanosoma brucei RNA helicase, putative 0.0176 0.6579 1
Brugia malayi Latrophilin receptor protein 2 0.0054 0.1155 0.1155
Schistosoma mansoni hypothetical protein 0.0054 0.1155 0.1296
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0036 0.0347 0.4125
Wolbachia endosymbiont of Brugia malayi ribonuclease HI 0.0047 0.0841 0.5
Echinococcus multilocularis ribonuclease H1 0.0047 0.0841 0.11
Echinococcus multilocularis tar DNA binding protein 0.0137 0.4839 1
Schistosoma mansoni phosphoglucomutase 0.0047 0.0841 0.0793

Activities

Activity type Activity value Assay description Source Reference
IC50 (ADMET) = 5.602 Inhibition of human CYP2A6 ChEMBL. 19110342
IC50 (ADMET) = 5.62 Inhibition of mouse CYP2A5 ChEMBL. 19110342
IC50 (ADMET) = 2.4 uM Inhibitory concentration against mouse cytochrome P450 2A5 ChEMBL. 15658857
IC50 (ADMET) = 2.4 uM Inhibitory concentration against mouse cytochrome P450 2A5 ChEMBL. 15658857
IC50 (ADMET) = 2.5 uM Inhibitory concentration against human cytochrome P450 2A6 ChEMBL. 15658857
IC50 (ADMET) = 2.5 uM Inhibitory concentration against human cytochrome P450 2A6 ChEMBL. 15658857
IC50 (ADMET) = 14 uM Inhibitory concentration against recombinant human cytochrome P450 1A2 ChEMBL. 15916432
IC50 (ADMET) = 14 uM Inhibitory concentration against recombinant human cytochrome P450 1A2 ChEMBL. 15916432
Ratio (ADMET) = 1.04 Ratio of IC50 for human CYP2A6 to that of mouse CYP2A5 was determined ChEMBL. 15658857

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

3 literature references were collected for this gene.

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