Detailed information for compound 980324

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 284.74 | Formula: C16H13ClN2O
  • H donors: 0 H acceptors: 1 LogP: 3.53 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)c1nc2ccc(cc2c(=O)n1C)Cl
  • InChi: 1S/C16H13ClN2O/c1-10-3-5-11(6-4-10)15-18-14-8-7-12(17)9-13(14)16(20)19(15)2/h3-9H,1-2H3
  • InChiKey: DFPVIHIAGXBYRY-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
Loa Loa (eye worm) hypothetical protein 0.0039 0.1024 0.1689
Echinococcus multilocularis geminin 0.016 0.6251 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0074 0.2533 0.4051
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0156 0.6064 0.97
Loa Loa (eye worm) hypothetical protein 0.0039 0.1024 0.1689
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0047 0.1386 0.2286
Plasmodium falciparum histone acetyltransferase GCN5 0.0042 0.1166 0.5
Onchocerca volvulus 0.0039 0.1024 0.5
Loa Loa (eye worm) transcription factor SMAD2 0.0113 0.4215 0.6951
Giardia lamblia Histone acetyltransferase GCN5 0.0042 0.1166 0.5
Schistosoma mansoni hypothetical protein 0.0032 0.0745 0.1191
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0039 0.1024 0.1638
Loa Loa (eye worm) hypothetical protein 0.0039 0.1024 0.1689
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.1024 0.5
Brugia malayi MH2 domain containing protein 0.0113 0.4215 0.6951
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0039 0.1024 0.1689
Entamoeba histolytica hypothetical protein 0.0074 0.2533 1
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0156 0.6064 0.97
Leishmania major hypothetical protein, conserved 0.0039 0.1024 0.5
Mycobacterium ulcerans hypothetical protein 0.0039 0.1024 0.5
Trichomonas vaginalis bromodomain-containing protein, putative 0.0046 0.133 1
Brugia malayi latrophilin 2 splice variant baaae 0.0032 0.0745 0.1228
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0047 0.1386 0.2286
Entamoeba histolytica hypothetical protein 0.0074 0.2533 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0039 0.1024 0.1689
Echinococcus granulosus beta LACTamase domain containing family member 0.0039 0.1024 0.1638
Brugia malayi beta-lactamase family protein 0.0039 0.1024 0.1689
Onchocerca volvulus 0.0039 0.1024 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.1024 0.5
Loa Loa (eye worm) hypothetical protein 0.0039 0.1024 0.1689
Loa Loa (eye worm) beta-lactamase 0.0039 0.1024 0.1689
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0046 0.133 1
Schistosoma mansoni hypothetical protein 0.0074 0.2533 0.4051
Loa Loa (eye worm) acetyltransferase 0.0156 0.6064 1
Schistosoma mansoni hypothetical protein 0.016 0.6251 1
Echinococcus granulosus geminin 0.016 0.6251 1
Mycobacterium leprae Probable lipase LipE 0.0039 0.1024 0.5
Onchocerca volvulus 0.0039 0.1024 0.5
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0039 0.1024 0.5
Echinococcus granulosus histone acetyltransferase KAT2B 0.0151 0.5876 0.9399
Schistosoma mansoni transcription factor LCR-F1 0.0074 0.2533 0.4051
Brugia malayi beta-lactamase family protein 0.0039 0.1024 0.1689
Echinococcus multilocularis beta LACTamase domain containing family member 0.0039 0.1024 0.1638
Mycobacterium ulcerans lipase LipD 0.0039 0.1024 0.5
Loa Loa (eye worm) hypothetical protein 0.0039 0.1024 0.1689
Brugia malayi hypothetical protein 0.0074 0.2533 0.4177
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0039 0.1024 0.1638
Entamoeba histolytica hypothetical protein 0.0074 0.2533 1
Mycobacterium leprae conserved hypothetical protein 0.0039 0.1024 0.5
Mycobacterium ulcerans beta-lactamase 0.0039 0.1024 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0113 0.4215 0.6951
Loa Loa (eye worm) hypothetical protein 0.0039 0.1024 0.1689
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0046 0.133 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0047 0.1386 0.2286
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0074 0.2533 0.4051
Schistosoma mansoni hypothetical protein 0.016 0.6251 1
Trypanosoma brucei hypothetical protein, conserved 0.0039 0.1024 0.5
Echinococcus granulosus histone acetyltransferase KAT2B 0.0046 0.133 0.2128
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0046 0.133 1
Brugia malayi beta-lactamase 0.0039 0.1024 0.1689
Loa Loa (eye worm) hypothetical protein 0.0047 0.1386 0.2286
Mycobacterium ulcerans esterase/lipase LipP 0.0039 0.1024 0.5
Brugia malayi acetyltransferase, GNAT family protein 0.0156 0.6064 1
Entamoeba histolytica hypothetical protein 0.0074 0.2533 1
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0046 0.133 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.0745 0.1228

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 3.35 ug ml-1 Antitumor activity against human MCF7 cells after 48 hrs by MTT assay ChEMBL. 20599299
IC50 (functional) = 4.17 ug ml-1 Antitumor activity against human HepG2 cells after 48 hrs by MTT assay ChEMBL. 20599299
IC50 (functional) = 4.37 ug ml-1 Antitumor activity against human HeLa cells after 48 hrs by MTT assay ChEMBL. 20599299

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 20599299

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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