Detailed information for compound 989580

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 339.815 | Formula: C20H18ClNO2
  • H donors: 1 H acceptors: 0 LogP: 4.98 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1cccc(c1)C1C2=C(CCCC2)Nc2c1cc1OCOc1c2
  • InChi: 1S/C20H18ClNO2/c21-13-5-3-4-12(8-13)20-14-6-1-2-7-16(14)22-17-10-19-18(9-15(17)20)23-11-24-19/h3-5,8-10,20,22H,1-2,6-7,11H2
  • InChiKey: HFSZIZDBDMENHB-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
Treponema pallidum cyclic nucleotide binding protein 0.001 0 0.5
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0015 0.0347 0.0533
Schistosoma mansoni serine/threonine kinase 0.0052 0.2869 0.4405
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0052 0.2869 0.2869
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0015 0.0347 0.0347
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0015 0.0347 0.0347
Echinococcus multilocularis hyperpolarization activated cyclic 0.0015 0.0347 0.0533
Echinococcus granulosus protein kinase c epsilon type 0.0052 0.2869 0.4405
Mycobacterium tuberculosis Conserved hypothetical protein 0.001 0 0.5
Echinococcus granulosus cGMP dependent protein kinase 0.0011 0.0077 0.0118
Loa Loa (eye worm) hypothetical protein 0.0015 0.0347 0.0347
Loa Loa (eye worm) AGC/PKN protein kinase 0.0052 0.2869 0.2869
Onchocerca volvulus 0.001 0 0.5
Echinococcus granulosus ribosomal protein s6 kinase beta 1 0.0052 0.2869 0.4405
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.0052 0.2869 0.4405
Echinococcus multilocularis Ribosomal protein S6 kinase beta 2 0.0052 0.2869 0.4405
Schistosoma mansoni voltage-gated potassium channel 0.0083 0.5062 0.7773
Toxoplasma gondii protein kinase G AGC kinase family member PKG 0.0011 0.0077 0.0079
Mycobacterium leprae Conserved hypothetical protein 0.001 0 0.5
Echinococcus granulosus nervana 2 0.0099 0.6142 0.9431
Schistosoma mansoni voltage-gated potassium channel 0.0022 0.0831 0.1277
Schistosoma mansoni atypical protein kinase C 0.0052 0.2869 0.4405
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0076 0.4577 0.7029
Loa Loa (eye worm) AGC/AKT protein kinase 0.0155 1 1
Trichomonas vaginalis AGC family protein kinase 0.0155 1 1
Brugia malayi Protein kinase domain containing protein 0.0052 0.2869 0.2869
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0076 0.4577 0.4577
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.0052 0.2869 0.2869
Schistosoma mansoni serine/threonine protein kinase 0.0052 0.2869 0.4405
Loa Loa (eye worm) hypothetical protein 0.0022 0.0831 0.0831
Echinococcus multilocularis ribosomal protein s6 kinase beta 1 0.0052 0.2869 0.4405
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0076 0.4577 0.4577
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0022 0.0831 0.1277
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.001 0 0.5
Trypanosoma cruzi rac serine-threonine kinase, putative 0.01 0.6219 0.955
Treponema pallidum cyclic nucleotide binding protein 0.001 0 0.5
Schistosoma mansoni voltage-gated potassium channel 0.0012 0.0135 0.0207
Mycobacterium ulcerans hypothetical protein 0.001 0 0.5
Trypanosoma brucei rac serine-threonine kinase, putative 0.0155 1 1
Echinococcus multilocularis voltage gated potassium channel 0.0022 0.0831 0.1277
Brugia malayi protein kinase C II. 0.0052 0.2869 0.2869
Schistosoma mansoni serine/threonine protein kinase 0.0052 0.2869 0.4405
Treponema pallidum catabolite gene activator (Crp) 0.001 0 0.5
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0071 0.423 0.423
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0015 0.0347 0.0533
Giardia lamblia Kinase, AGC PKA 0.01 0.6219 1
Echinococcus granulosus calcium:calmodulin dependent protein kinase 0.01 0.6219 0.955
Loa Loa (eye worm) AGC/RSK/MSK protein kinase 0.0052 0.2869 0.2869
Echinococcus multilocularis serine:threonine protein kinase 38 0.0052 0.2869 0.4405
Echinococcus multilocularis nervana 2 0.0099 0.6142 0.9431
Trichomonas vaginalis AGC family protein kinase 0.0155 1 1
Echinococcus multilocularis protein kinase c epsilon type 0.0052 0.2869 0.4405
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.0015 0.0347 0.0533
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0015 0.0347 0.0347
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 0.0052 0.2869 0.4405
Trypanosoma cruzi Protein kinase B 0.0104 0.6512 1
Chlamydia trachomatis cAMP-dependent protein kinase regulatory subunit 0.001 0 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0011 0.0077 0.0118
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0151 0.9707 0.9707
Schistosoma mansoni serine/threonine protein kinase 0.0052 0.2869 0.4405
Entamoeba histolytica protein kinase, putative 0.0155 1 1
Treponema pallidum catabolite gene activator 0.001 0 0.5
Mycobacterium tuberculosis Probable transcriptional regulatory protein Cmr 0.001 0 0.5
Echinococcus granulosus serine:threonine protein kinase N2 0.0052 0.2869 0.4405
Trichomonas vaginalis AGC family protein kinase 0.0056 0.3162 0.3162
Echinococcus multilocularis serine threonine protein kinase 0.0052 0.2869 0.4405
Trichomonas vaginalis AGC family protein kinase 0.0155 1 1
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0104 0.6512 1
Schistosoma mansoni serine/threonine-protein kinase 0.0104 0.6512 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.2869 0.2869
Schistosoma mansoni serine/threonine protein kinase 0.0052 0.2869 0.4405
Onchocerca volvulus 0.001 0 0.5
Loa Loa (eye worm) AGC/NDR protein kinase 0.0052 0.2869 0.2869
Mycobacterium tuberculosis Probable conserved transmembrane transport protein 0.001 0 0.5
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0071 0.423 0.423
Schistosoma mansoni serine/threonine protein kinase 0.0011 0.0077 0.0118
Toxoplasma gondii AGC kinase 0.0151 0.9707 1
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0022 0.0831 0.1277
Echinococcus multilocularis Glutaredoxin protein 5 0.0099 0.6142 0.9431
Plasmodium falciparum RAC-beta serine/threonine protein kinase 0.01 0.6219 1
Loa Loa (eye worm) AGC/PKG protein kinase 0.0011 0.0077 0.0077
Mycobacterium ulcerans transmembrane transport protein 0.001 0 0.5
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0015 0.0347 0.0347
Echinococcus granulosus potassium:sodium hyperpolarization activated 0.0015 0.0347 0.0533
Entamoeba histolytica PH domain containing protein kinase, putative 0.0104 0.6512 0.5109
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0015 0.0347 0.0533
Echinococcus granulosus cyclic nucleotide gated cation channel alpha 3 0.0015 0.0347 0.0533
Trichomonas vaginalis AGC family protein kinase 0.0155 1 1
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0099 0.6142 0.9431
Schistosoma mansoni serine/threonine-protein kinase 0.0104 0.6512 1
Echinococcus multilocularis cGMP dependent protein kinase 1 0.0011 0.0077 0.0118
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0015 0.0347 0.0533
Echinococcus multilocularis cyclic nucleotide gated cation channel alpha 3 0.0015 0.0347 0.0533
Loa Loa (eye worm) hypothetical protein 0.0066 0.3881 0.3881
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0015 0.0347 0.0533
Echinococcus granulosus cGMP dependent protein kinase 1 0.0011 0.0077 0.0118
Schistosoma mansoni voltage-gated potassium channel 0.0015 0.0347 0.0533
Echinococcus multilocularis nervana 2 0.0099 0.6142 0.9431
Loa Loa (eye worm) AGC/DMPK/GEK protein kinase 0.0052 0.2869 0.2869
Echinococcus granulosus protein kinase c iota type 0.0052 0.2869 0.4405
Echinococcus granulosus serine threonine protein kinase nrc 0.01 0.6219 0.955
Schistosoma mansoni voltage-gated potassium channel 0.0022 0.0831 0.1277
Echinococcus multilocularis cGMP dependent protein kinase 1 0.0011 0.0077 0.0118
Schistosoma mansoni serine/threonine protein kinase 0.0011 0.0077 0.0118
Plasmodium falciparum cGMP-dependent protein kinase 0.0011 0.0077 0.0124
Schistosoma mansoni serine/threonine protein kinase 0.0052 0.2869 0.4405
Trichomonas vaginalis AGC family protein kinase 0.0052 0.2869 0.2869
Trichomonas vaginalis AGC family protein kinase 0.0052 0.2869 0.2869
Echinococcus granulosus hyperpolarization activated cyclic 0.0015 0.0347 0.0533
Mycobacterium tuberculosis Probable glutamine-transport ATP-binding protein ABC transporter GlnQ 0.001 0 0.5
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0015 0.0347 0.0533
Echinococcus granulosus Ribosomal protein S6 kinase beta 2 0.0052 0.2869 0.4405
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0052 0.2869 0.4405
Echinococcus multilocularis serine:threonine protein kinase N2 0.0052 0.2869 0.4405
Leishmania major protein kinase, putative 0.0011 0.0077 1
Trichomonas vaginalis AGC family protein kinase 0.0052 0.2869 0.2869
Echinococcus multilocularis expressed conserved protein 0.0011 0.0077 0.0118
Mycobacterium tuberculosis Conserved hypothetical protein 0.001 0 0.5
Brugia malayi Cyclic-nucleotide gated cation channel 0.0015 0.0347 0.0347
Leishmania major protein kinase, putative 0.0011 0.0077 1
Plasmodium vivax rac-beta serine/threonine protein kinase, putative 0.01 0.6219 1
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0015 0.0347 0.0533
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0076 0.4577 0.7029
Mycobacterium ulcerans regulatory protein 0.001 0 0.5
Schistosoma mansoni 60S ribosomal protein L21 0.0012 0.0135 0.0207
Brugia malayi p70 ribosomal S6 kinase beta 0.0151 0.9707 0.9707
Echinococcus granulosus Glutaredoxin protein 5 0.0099 0.6142 0.9431
Trichomonas vaginalis AGC family protein kinase 0.0155 1 1
Echinococcus granulosus nervana 2 0.0099 0.6142 0.9431
Echinococcus granulosus serine/threonine protein kinase 0.0104 0.6512 1
Echinococcus granulosus Protein kinase C brain isozyme 0.0052 0.2869 0.4405
Echinococcus multilocularis protein kinase c iota type 0.0052 0.2869 0.4405
Echinococcus granulosus voltage gated potassium channel 0.0022 0.0831 0.1277
Echinococcus multilocularis hyperpolarization activated cyclic 0.0015 0.0347 0.0533
Brugia malayi Egg laying defective protein 4 0.0011 0.0077 0.0077
Trichomonas vaginalis AGC family protein kinase 0.0155 1 1
Brugia malayi Hr1 repeat family protein 0.0052 0.2869 0.2869
Brugia malayi Protein kinase domain containing protein 0.0052 0.2869 0.2869
Mycobacterium ulcerans hypothetical protein 0.001 0 0.5
Schistosoma mansoni voltage-gated potassium channel 0.0083 0.5062 0.7773
Entamoeba histolytica PH domain containing protein kinase, putative 0.0104 0.6512 0.5109
Mycobacterium tuberculosis Conserved protein 0.001 0 0.5
Entamoeba histolytica protein kinase, putative 0.0151 0.9707 0.9589
Echinococcus granulosus NDR protein kinase 0.0052 0.2869 0.4405
Schistosoma mansoni serine/threonine protein kinase 0.0052 0.2869 0.4405
Echinococcus granulosus cGMP dependent protein kinase 1 0.0011 0.0077 0.0118
Echinococcus multilocularis serine:threonine protein kinase N2 0.0052 0.2869 0.4405
Entamoeba histolytica protein kinase, putative 0.0155 1 1
Schistosoma mansoni serine/threonine protein kinase 0.0052 0.2869 0.4405
Echinococcus multilocularis serine threonine protein kinase nrc serine threonine protein kinase gad 0.01 0.6219 0.955
Echinococcus multilocularis rac serine:threonine kinase 0.0104 0.6512 1
Mycobacterium ulcerans hypothetical protein 0.001 0 0.5
Trichomonas vaginalis AGC family protein kinase 0.0155 1 1
Entamoeba histolytica protein kinase 2, putative 0.01 0.6219 0.4697
Echinococcus granulosus protein kinase C gamma type 0.0052 0.2869 0.4405
Echinococcus multilocularis potassium:sodium hyperpolarization activated 0.0015 0.0347 0.0533
Mycobacterium ulcerans transcriptional regulatory protein 0.001 0 0.5
Mycobacterium tuberculosis Probable conserved transmembrane protein 0.001 0 0.5
Mycobacterium ulcerans hypothetical protein 0.001 0 0.5
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0099 0.6142 0.9431
Echinococcus granulosus hyperpolarization activated cyclic 0.0015 0.0347 0.0533
Trichomonas vaginalis serine/threonine-protein kinase sgk, putative 0.0051 0.2792 0.2792
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0022 0.0831 0.0831

Activities

No activities found for this compound.

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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