Detailed information for compound 167758

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 276.332 | Formula: C18H16N2O
  • H donors: 0 H acceptors: 2 LogP: 3.44 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccccc1c1ccnc(c1)c1nccc(c1)C
  • InChi: 1S/C18H16N2O/c1-13-7-9-19-16(11-13)17-12-14(8-10-20-17)15-5-3-4-6-18(15)21-2/h3-12H,1-2H3
  • InChiKey: TVEBGUSEHAYPOT-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) CXXC zinc finger family protein 0.0034 0.0178 0.0264
Brugia malayi Matrixin family protein 0.0469 0.2869 0.4428
Echinococcus granulosus muscleblind protein 0.0159 0.0951 0.0944
Loa Loa (eye worm) matrixin family protein 0.1041 0.64 0.9893
Echinococcus granulosus dnaJ subfamily B 0.048 0.2934 0.2929
Loa Loa (eye worm) hypothetical protein 0.0144 0.0858 0.1316
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0054 0.0302 0.074
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0054 0.0302 0.074
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0071 0.0412 0.101
Loa Loa (eye worm) hypothetical protein 0.0159 0.0951 0.146
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.0572 0.3501 0.5406
Brugia malayi Matrixin family protein 0.1052 0.6469 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0008 0.0022 0.0014
Brugia malayi Matrixin family protein 0.0469 0.2869 0.4428
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.017 0.1021 0.2504
Onchocerca volvulus Matrix metalloproteinase homolog 0.1041 0.64 1
Echinococcus multilocularis muscleblind protein 0.0159 0.0951 0.0944
Plasmodium vivax histone acetyltransferase GCN5, putative 0.005 0.0279 1
Schistosoma mansoni cpg binding protein 0.0036 0.019 0.0466
Schistosoma mansoni cpg binding protein 0.0036 0.019 0.0466
Brugia malayi hypothetical protein 0.0144 0.0858 0.1316
Plasmodium falciparum histone acetyltransferase GCN5 0.0046 0.0253 0.5
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0008 0.0022 0.0054
Brugia malayi Matrixin family protein 0.0469 0.2869 0.4428
Schistosoma mansoni matrix metallopeptidase-9 (M10 family) 0.0665 0.4077 1
Schistosoma mansoni hypothetical protein 0.048 0.2934 0.7198
Schistosoma mansoni bromodomain containing protein 0.0006 0.0008 0.0019
Onchocerca volvulus 0.0583 0.357 0.5452
Echinococcus granulosus histone acetyltransferase KAT2B 0.005 0.0279 0.0272
Loa Loa (eye worm) acetyltransferase 0.017 0.1021 0.1567
Schistosoma mansoni bromodomain containing protein 0.0006 0.0008 0.0019
Brugia malayi acetyltransferase, GNAT family protein 0.017 0.1021 0.1567
Schistosoma mansoni cpg binding protein 0.0034 0.0178 0.0437
Schistosoma mansoni hypothetical protein 0.0583 0.357 0.8758
Echinococcus multilocularis muscleblind protein 1 0.0159 0.0951 0.0944
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0035 0.0027
Loa Loa (eye worm) hypothetical protein 0.0572 0.3501 0.5406
Trichomonas vaginalis bromodomain-containing protein, putative 0.005 0.0279 1
Loa Loa (eye worm) hypothetical protein 0.0469 0.2869 0.4428
Loa Loa (eye worm) hypothetical protein 0.0469 0.2869 0.4428
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.005 0.0279 1
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.017 0.1021 0.1014
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.0469 0.2869 0.7038
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0035 0.0027
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0054 0.0302 0.0294
Onchocerca volvulus Huntingtin homolog 0.0144 0.0858 0.1093
Brugia malayi Hemopexin family protein 0.0583 0.357 0.5513
Toxoplasma gondii histone lysine methyltransferase SET1 0.0068 0.039 1
Echinococcus multilocularis dnaJ subfamily B 0.048 0.2934 0.2929
Loa Loa (eye worm) hypothetical protein 0.0144 0.0858 0.1316
Loa Loa (eye worm) histone methyltransferase 0.001 0.0035 0.0041
Onchocerca volvulus 0.0469 0.2869 0.4325
Mycobacterium ulcerans hydrolase 0.0572 0.3501 0.5
Loa Loa (eye worm) matrix metalloproteinase 0.0469 0.2869 0.4428
Loa Loa (eye worm) matrixin family protein 0.1052 0.6469 1
Loa Loa (eye worm) hypothetical protein 0.0469 0.2869 0.4428
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0054 0.0302 0.0455
Entamoeba histolytica acetyltransferase, GNAT family 0.0046 0.0253 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0054 0.0302 0.074
Echinococcus granulosus cpg binding protein 0.0036 0.019 0.0183
Loa Loa (eye worm) hypothetical protein 0.0159 0.0951 0.146
Echinococcus granulosus histone acetyltransferase KAT2B 0.0165 0.0991 0.0984
Brugia malayi Matrixin family protein 0.0469 0.2869 0.4428
Mycobacterium tuberculosis Probable peptidoglycan hydrolase 0.0572 0.3501 0.5
Onchocerca volvulus Huntingtin homolog 0.0144 0.0858 0.1093
Brugia malayi F/Y-rich N-terminus family protein 0.001 0.0034 0.004
Brugia malayi CXXC zinc finger family protein 0.0034 0.0178 0.0264
Mycobacterium leprae PROBABLE HYDROLASE 0.0572 0.3501 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0054 0.0302 0.0294
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0008 0.0022 0.0014
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0054 0.0302 0.0455
Echinococcus granulosus mixed lineage leukemia protein mll 0.0008 0.0022 0.0014
Echinococcus multilocularis cpg binding protein 0.0036 0.019 0.0183
Schistosoma mansoni zinc finger protein 0.0006 0.0008 0.0019
Giardia lamblia Histone acetyltransferase GCN5 0.0046 0.0253 0.5
Onchocerca volvulus Matrilysin homolog 0.1041 0.64 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0054 0.0302 0.0294
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.1624 1 1
Onchocerca volvulus Matrilysin homolog 0.0469 0.2869 0.4325
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0054 0.0302 0.0294
Brugia malayi Muscleblind-like protein 0.0159 0.0951 0.146
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0008 0.0022 0.0014

Activities

Activity type Activity value Assay description Source Reference
Disease control (functional) = 0 % Fungicidal activity (under greenhouse conditions against Cucumber botrytis (Botrytis cinerea) at 200 ppm ChEMBL. No reference
Disease control (functional) NT 0 % Fungicidal activity under greenhouse conditions against Grape downy mildew (Plasmopara viticola) at 200 ppm ChEMBL. No reference
Disease control (functional) = 0 % Fungicidal activity under greenhouse conditions against Tomato late blight (Phtyopthora infestans) at 200 ppm ChEMBL. No reference
Disease control (functional) = 12 % The fungicidal activity (percent disease control) under greenhouse conditions against Wheat septoria (Septoria nodorum) at 40 ppm; shows curative effect ChEMBL. No reference
Disease control (functional) = 19 % The fungicidal activity (percent disease control) under greenhouse conditions against Wheat leaf rust (Puccinia recondita) at 40 ppm ChEMBL. No reference
Disease control (functional) = 30 % The fungicidal activity (percent disease control) under greenhouse conditions against against Wheat powdery mildew (Erisyphe graminis) at 40 ppm; shows curative effect ChEMBL. No reference
Disease control (functional) = 53 % Fungicidal activity under greenhouse conditions against Rice blast (Pyricularia oryzae) at 200 ppm ChEMBL. No reference
Disease control (functional) = 81 % Fungicidal activity under greenhouse conditions against Rice sheath blight (Rhizoctonia solani) at 200 ppm ChEMBL. No reference
Disease control (functional) = 86 % Fungicidal activity under greenhouse conditions against Wheat foot rot (Pseudocercosporella herpotrichoides) at 200 ppm. ChEMBL. No reference

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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