Detailed information for compound 1134339

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 463.378 | Formula: C25H16Cl2N2OS
  • H donors: 0 H acceptors: 2 LogP: 7.49 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1c(OC)nc(c(c1c1ccc(cc1)Cl)Sc1ccc(cc1)Cl)c1ccccc1
  • InChi: 1S/C25H16Cl2N2OS/c1-30-25-21(15-28)22(16-7-9-18(26)10-8-16)24(31-20-13-11-19(27)12-14-20)23(29-25)17-5-3-2-4-6-17/h2-14H,1H3
  • InChiKey: XKWHCFDYDJCOHC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

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
Schistosoma mansoni zinc finger protein 0.0017 0.0046 0.0095
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.002 0.0333 0.1189
Brugia malayi RNA binding protein 0.007 0.4822 0.4822
Brugia malayi TAR-binding protein 0.007 0.4822 0.4822
Echinococcus multilocularis inositol monophosphatase 1 0.0044 0.2459 0.5099
Brugia malayi Inositol-1 0.0044 0.2459 0.2459
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0066 0.446 0.9248
Loa Loa (eye worm) PHD-finger family protein 0.0023 0.0576 0.0576
Brugia malayi Bromodomain containing protein 0.0042 0.2332 0.2332
Loa Loa (eye worm) inositol-1 0.0044 0.2459 0.2459
Loa Loa (eye worm) transcription factor SMAD2 0.0127 1 1
Schistosoma mansoni tar DNA-binding protein 0.007 0.4822 1
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0025 0.0766 0.1588
Schistosoma mansoni hypothetical protein 0.0017 0.0046 0.0095
Brugia malayi Bromodomain containing protein 0.0083 0.598 0.598
Brugia malayi RNA recognition motif domain containing protein 0.007 0.4822 0.4822
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0044 0.2459 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.3187 0.3187
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.1712 0.1712
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0019 0.022 0.0456
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0044 0.2459 1
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0044 0.2459 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0127 1 1
Schistosoma mansoni ap endonuclease 0.002 0.0333 0.069
Echinococcus granulosus zinc finger protein 0.0022 0.0471 0.0977
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0333 0.5
Loa Loa (eye worm) hypothetical protein 0.0045 0.2575 0.2575
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.3187 0.3187
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0019 0.022 0.0456
Echinococcus granulosus histone lysine methyltransferase setb 0.0019 0.022 0.0456
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0025 0.0766 0.1588
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0066 0.446 0.9248
Echinococcus granulosus fetal alzheimer antigen falz 0.0025 0.0766 0.1588
Schistosoma mansoni bromodomain containing protein 0.007 0.4816 0.9987
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0044 0.2459 1
Loa Loa (eye worm) hypothetical protein 0.0047 0.2764 0.2764
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0044 0.2459 1
Schistosoma mansoni tar DNA-binding protein 0.007 0.4822 1
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0044 0.2459 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.004 0.2097 0.4348
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.002 0.0333 0.1189
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.002 0.0333 0.1189
Schistosoma mansoni hypothetical protein 0.0023 0.0576 0.1195
Trichomonas vaginalis inositol monophosphatase, putative 0.0044 0.2459 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.0333 0.069
Schistosoma mansoni tar DNA-binding protein 0.007 0.4822 1
Schistosoma mansoni inositol monophosphatase 0.0044 0.2459 0.5099
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0.0333 0.5
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.002 0.0333 0.5
Schistosoma mansoni tar DNA-binding protein 0.007 0.4822 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.2339 0.2339
Schistosoma mansoni tar DNA-binding protein 0.007 0.4822 1
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0039 0.2047 1
Loa Loa (eye worm) RNA binding protein 0.007 0.4822 0.4822
Loa Loa (eye worm) hypothetical protein 0.0078 0.5555 0.5555
Loa Loa (eye worm) TAR-binding protein 0.007 0.4822 0.4822
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0019 0.022 0.0456
Schistosoma mansoni zinc finger protein 0.0022 0.0471 0.0977
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.0333 0.0333
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0333 0.5
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0044 0.2459 1
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.002 0.0333 0.1189
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.3187 0.3187
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0019 0.022 0.0456
Echinococcus granulosus inositol monophosphatase 1 0.0044 0.2459 0.5099
Echinococcus granulosus methyl CpG binding domain protein 2 0.0019 0.022 0.0456
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.0333 0.069
Echinococcus multilocularis zinc finger protein 0.0022 0.0471 0.0977
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0044 0.2459 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.022 0.022
Loa Loa (eye worm) hypothetical protein 0.0035 0.1712 0.1712
Echinococcus granulosus tar DNA binding protein 0.007 0.4822 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0044 0.2459 1
Schistosoma mansoni methyl-cpg binding protein mbd 0.0019 0.022 0.0456
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.0333 0.0333
Schistosoma mansoni inositol monophosphatase 0.0044 0.2459 0.5099
Loa Loa (eye worm) bromodomain containing protein 0.0019 0.0281 0.0281
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0044 0.2459 1
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0039 0.2047 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.007 0.4822 0.4822
Brugia malayi PHD-finger family protein 0.0027 0.1001 0.1001
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.004 0.2097 0.4348
Schistosoma mansoni ap endonuclease 0.002 0.0333 0.069
Schistosoma mansoni hypothetical protein 0.0035 0.1712 0.355
Schistosoma mansoni methyl-cpg binding protein mbd 0.0019 0.022 0.0456
Echinococcus multilocularis tar DNA binding protein 0.007 0.4822 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.3187 0.3187

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) = 27 uM Antimycobacterial activity against Mycobacterium tuberculosis H37Rv by agar dilution method ChEMBL. 20434911

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.