Detailed information for compound 264305

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 333.212 | Formula: C17H14Cl2N2O
  • H donors: 0 H acceptors: 1 LogP: 4.59 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)c1nc(=O)c2c(n1C(C)C)cc(cc2)Cl
  • InChi: 1S/C17H14Cl2N2O/c1-10(2)21-15-9-13(19)7-8-14(15)17(22)20-16(21)11-3-5-12(18)6-4-11/h3-10H,1-2H3
  • InChiKey: JSIQPCKTIBXIMV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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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 d-amino acid oxidase 0.0158 0.4888 0.9112
Brugia malayi Inositol-1 0.0039 0.0787 0.0787
Schistosoma mansoni inositol monophosphatase 0.0039 0.0787 0.1467
Loa Loa (eye worm) hypothetical protein 0.0026 0.0329 0.0329
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0071 0.1889 0.3521
Echinococcus granulosus tyrosine protein kinase Src42A 0.0071 0.1889 0.3521
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0081 0.224 0.4175
Mycobacterium tuberculosis Conserved protein 0.0038 0.0753 0.0967
Brugia malayi SRC-1 0.0081 0.224 0.224
Brugia malayi beta-lactamase family protein 0.0038 0.0753 0.0753
Mycobacterium leprae PROBABLE D-AMINO ACID OXIDASE AAO 0.0158 0.4888 1
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0039 0.0787 0.0082
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0329 1
Mycobacterium tuberculosis Probable esterase LipL 0.0038 0.0753 0.0967
Brugia malayi RNA recognition motif domain containing protein 0.0064 0.166 0.166
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0035 0.0647 0.0831
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0064 0.166 0.166
Leishmania major hypothetical protein, conserved 0.0026 0.0329 0.4175
Brugia malayi TAR-binding protein 0.0064 0.166 0.166
Brugia malayi beta-lactamase family protein 0.0038 0.0753 0.0753
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0038 0.0753 0.0753
Echinococcus multilocularis isocitrate dehydrogenase 0.0016 0.0001 0.0001
Echinococcus multilocularis beta LACTamase domain containing family member 0.0038 0.0753 0.1404
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0038 0.0753 0.0967
Echinococcus granulosus tyrosine protein kinase HCK 0.0065 0.1689 0.3147
Loa Loa (eye worm) TK protein kinase 0.0073 0.1968 0.1968
Loa Loa (eye worm) SRC-1 0.0081 0.224 0.224
Mycobacterium ulcerans D-amino acid oxidase Aao 0.0158 0.4888 1
Schistosoma mansoni hypothetical protein 0.0172 0.5365 1
Mycobacterium tuberculosis Probable hydrolase 0.0038 0.0753 0.0967
Loa Loa (eye worm) RNA binding protein 0.0064 0.166 0.166
Echinococcus granulosus tyrosine protein kinase Btk29A 0.0018 0.0078 0.0146
Brugia malayi Tyrosine-protein kinase abl-1 0.0018 0.0078 0.0078
Loa Loa (eye worm) hypothetical protein 0.0307 1 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0001 0.0001
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0081 0.224 0.4175
Loa Loa (eye worm) hypothetical protein 0.0158 0.4888 0.4888
Brugia malayi hypothetical protein 0.0026 0.0329 0.0329
Echinococcus granulosus tyrosine protein kinase Fyn 0.0081 0.224 0.4175
Echinococcus multilocularis geminin 0.0172 0.5365 1
Loa Loa (eye worm) inositol-1 0.0039 0.0787 0.0787
Brugia malayi isocitrate dehydrogenase 0.0016 0.0001 0.0001
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0016 0.0001 0.0001
Mycobacterium tuberculosis Conserved protein 0.0038 0.0753 0.0967
Schistosoma mansoni tar DNA-binding protein 0.0064 0.166 0.3095
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0039 0.0787 1
Echinococcus granulosus tyrosine protein kinase Src42A 0.0081 0.224 0.4175
Brugia malayi protein-tyrosine kinase 0.0073 0.1968 0.1968
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0039 0.0787 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0329 0.4175
Echinococcus granulosus tyrosine protein kinase Lyn 0.0081 0.224 0.4175
Trypanosoma brucei hypothetical protein, conserved 0.0038 0.0753 0.9571
Loa Loa (eye worm) beta-lactamase 0.0038 0.0753 0.0753
Schistosoma mansoni tyrosine kinase 0.0018 0.0078 0.0146
Echinococcus granulosus beta LACTamase domain containing family member 0.0038 0.0753 0.1404
Schistosoma mansoni tyrosine kinase 0.0081 0.224 0.4175
Loa Loa (eye worm) isocitrate dehydrogenase 0.0016 0.0001 0.0001
Echinococcus multilocularis tyrosine protein kinase Srms 0.0073 0.1968 0.3667
Echinococcus granulosus geminin 0.0172 0.5365 1
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0753 0.9571
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0039 0.0787 1
Schistosoma mansoni tar DNA-binding protein 0.0064 0.166 0.3095
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0001 0.0001
Schistosoma mansoni tar DNA-binding protein 0.0064 0.166 0.3095
Plasmodium vivax hypothetical protein, conserved 0.0038 0.0753 1
Entamoeba histolytica protein kinase, putative 0.0065 0.1689 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0753 0.0753
Onchocerca volvulus 0.0307 1 1
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0081 0.224 0.4175
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0081 0.224 0.4175
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0039 0.0787 1
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0081 0.224 0.4175
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0329 0.4175
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0039 0.0787 1
Schistosoma mansoni inositol monophosphatase 0.0039 0.0787 0.1467
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0081 0.224 0.4175
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0081 0.224 0.4175
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0016 0.0001 0.0001
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0038 0.0753 0.0967
Loa Loa (eye worm) TK protein kinase 0.0065 0.1689 0.1689
Echinococcus granulosus inositol monophosphatase 1 0.0039 0.0787 0.1467
Brugia malayi RNA binding protein 0.0064 0.166 0.166
Echinococcus granulosus tyrosine protein kinase Fyn 0.0081 0.224 0.4175
Echinococcus multilocularis c src tyrosine kinase 0.0018 0.0078 0.0146
Echinococcus granulosus tyrosine protein kinase Fyn 0.0081 0.224 0.4175
Echinococcus granulosus tyrosine protein kinase Src64B 0.0081 0.224 0.4175
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0753 0.1404
Echinococcus multilocularis tar DNA binding protein 0.0064 0.166 0.3095
Trichomonas vaginalis inositol monophosphatase, putative 0.0039 0.0787 1
Echinococcus multilocularis tyrosine protein kinase HCK 0.0065 0.1689 0.3147
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0073 0.1968 0.3667
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0329 1
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0753 0.9571
Mycobacterium tuberculosis Conserved protein 0.0038 0.0753 0.0967
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0038 0.0753 0.0753
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0.0329 0.4362
Toxoplasma gondii LsmAD domain-containing protein 0.0026 0.0329 0.4175
Schistosoma mansoni tar DNA-binding protein 0.0064 0.166 0.3095
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.0329 0.4175
Loa Loa (eye worm) hypothetical protein 0.0038 0.0753 0.0753
Schistosoma mansoni tyrosine kinase 0.0081 0.224 0.4175
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0081 0.224 0.4175
Mycobacterium tuberculosis Probable lipase LipD 0.0038 0.0753 0.0967
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0081 0.224 0.4175
Brugia malayi hypothetical protein 0.0017 0.0017 0.0017
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.0018 0.0078 0.0146
Echinococcus granulosus tyrosine kinase 0.0073 0.1968 0.3667
Leishmania major hypothetical protein, conserved 0.0038 0.0753 0.9571
Loa Loa (eye worm) TAR-binding protein 0.0064 0.166 0.166
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0016 0.0001 0.0001
Mycobacterium tuberculosis Probable lipase LipE 0.0038 0.0753 0.0967
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0081 0.224 0.4175
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0038 0.0753 0.0967
Schistosoma mansoni tar DNA-binding protein 0.0064 0.166 0.3095
Mycobacterium leprae conserved hypothetical protein 0.0038 0.0753 0.0251
Echinococcus multilocularis inositol monophosphatase 1 0.0039 0.0787 0.1467
Echinococcus multilocularis tyrosine protein kinase Blk 0.0073 0.1968 0.3667
Echinococcus granulosus c src tyrosine kinase 0.0018 0.0078 0.0146
Toxoplasma gondii ABC1 family protein 0.0038 0.0753 0.9571
Loa Loa (eye worm) hypothetical protein 0.0038 0.0753 0.0753
Schistosoma mansoni hypothetical protein 0.0172 0.5365 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0753 0.1404
Loa Loa (eye worm) hypothetical protein 0.0038 0.0753 0.0753
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0001 0.0001
Loa Loa (eye worm) hypothetical protein 0.0038 0.0753 0.0753
Schistosoma mansoni tyrosine kinase 0.0018 0.0078 0.0146
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0039 0.0787 1
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.0018 0.0078 0.0146
Echinococcus multilocularis tyrosine protein kinase Abl 0.0018 0.0078 0.0146
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0039 0.0787 0.5
Loa Loa (eye worm) hypothetical protein 0.0038 0.0753 0.0753
Brugia malayi beta-lactamase 0.0038 0.0753 0.0753
Echinococcus granulosus tar DNA binding protein 0.0064 0.166 0.3095
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0039 0.0787 1
Brugia malayi Isocitrate dehydrogenase 0.0016 0.0001 0.0001
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0243 0.7783 1
Mycobacterium tuberculosis Probable D-amino acid oxidase Aao 0.0145 0.4435 0.5698
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0073 0.1968 0.3667
Mycobacterium leprae Probable lipase LipE 0.0038 0.0753 0.0251
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0081 0.224 0.4175
Echinococcus granulosus tyrosine protein kinase Blk 0.0073 0.1968 0.3667

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = 30 % Percent inhibition against carrageenin-induced rat paw edema at 50 mg/kg dose administered perorally; 21-30% ChEMBL. 3872940

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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