Detailed information for compound 872448

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 368.814 | Formula: C20H17ClN2O3
  • H donors: 1 H acceptors: 2 LogP: 3.91 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC1Oc2ccc(c3c2n(C1)cc(c3=O)C(=O)Nc1ccccc1C)Cl
  • InChi: 1S/C20H17ClN2O3/c1-11-5-3-4-6-15(11)22-20(25)13-10-23-9-12(2)26-16-8-7-14(21)17(18(16)23)19(13)24/h3-8,10,12H,9H2,1-2H3,(H,22,25)
  • InChiKey: JTJUNSPGWSIXAA-UHFFFAOYSA-N  

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
Onchocerca volvulus 0.0062 0.5825 0.3955
Echinococcus granulosus plasma membrane calcium transporting ATPase 2 0.0016 0.0907 0.0342
Trypanosoma cruzi plasma membrane Ca2+ ATPase 0.0015 0.0776 1
Brugia malayi Na,K-ATPase alpha subunit 0.0038 0.3225 1
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0101 1 1
Trichomonas vaginalis cation-transporting ATPase, putative 0.0015 0.0776 0.8167
Leishmania major calcium-translocating P-type ATPase 0.0015 0.0776 1
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0015 0.0776 0.8167
Schistosoma mansoni sodium / potassium ATPase beta chain 0.0062 0.5825 0.5565
Echinococcus granulosus nervana 2 0.0062 0.5825 0.5565
Entamoeba histolytica plasma membrane calcium-transporting ATPase 1, putative 0.0008 0.0073 0.08
Loa Loa (eye worm) hypothetical protein 0.0038 0.3225 0.3177
Loa Loa (eye worm) hypothetical protein 0.0021 0.1482 0.1423
Trypanosoma brucei vacuolar-type Ca2+-ATPase 1 0.0015 0.0776 1
Brugia malayi Calcium-transporting ATPase sarcoplasmic/endoplasmic reticulum type 0.0013 0.0586 0.1637
Trypanosoma brucei calcium-translocating P-type ATPase 0.0013 0.0586 0.731
Plasmodium vivax P-type ATPase4, putative 0.0016 0.0907 0.5
Loa Loa (eye worm) hypothetical protein 0.0101 1 1
Brugia malayi Membrane calcium atpase protein 3 0.0013 0.0586 0.1637
Schistosoma mansoni transmemberane protein 0.0101 1 1
Echinococcus granulosus nervana 2 0.0101 1 1
Schistosoma mansoni sodium/potassium-dependent atpase beta subunit 0.0062 0.5825 0.5565
Toxoplasma gondii P-type ATPase4, putative 0.0016 0.0907 1
Echinococcus multilocularis Tetracycline resistance leader peptide, TetL 0.0016 0.0907 0.0342
Echinococcus granulosus sodium:potassium transporting ATPase subunit 0.0101 1 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.2068 0.2013
Entamoeba histolytica Plasma membrane calcium-transporting ATPase, putative 0.0015 0.0776 0.8551
Giardia lamblia Plasma membrane calcium-transporting ATPase 2 0.0015 0.0776 0.1314
Entamoeba histolytica Plasma membrane calcium-transporting ATPase, putative 0.0015 0.0776 0.8551
Onchocerca volvulus 0.0101 1 1
Trypanosoma cruzi Calcium ATPase SERCA-like 0.0015 0.0776 1
Schistosoma mansoni ATPase 0.0015 0.0776 0.0202
Plasmodium vivax calcium-transporting ATPase, putative 0.0016 0.0907 0.5
Schistosoma mansoni sodium/potassium-dependent atpase beta subunit 0.0101 1 1
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0015 0.0776 0.8167
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0101 1 1
Loa Loa (eye worm) sodium/potassium-transporting ATPase subunit alpha 0.0033 0.2708 0.2657
Trichomonas vaginalis cation-transporting ATPase, putative 0.0015 0.0776 0.8167
Echinococcus multilocularis nervana 2 0.0101 1 1
Leishmania major P-type ATPase, putative 0.0013 0.0586 0.6754
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0015 0.0776 0.8167
Loa Loa (eye worm) hypothetical protein 0.0015 0.0776 0.0712
Mycobacterium tuberculosis Possible metal cation transporting P-type ATPase CtpH 0.001 0.0259 0.5
Brugia malayi Sodium/potassium-transporting ATPase alpha chain, putative 0.0033 0.2708 0.8363
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0062 0.5825 0.5565
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0101 1 1
Leishmania major calcium-transporting ATPase, putative 0.0013 0.0586 0.6754
Entamoeba histolytica calcium-transporting P-type ATPase, putative 0.0016 0.0907 1
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0013 0.0586 0.5516
Trypanosoma brucei vacuolar-type Ca2+-ATPase 2 0.0015 0.0776 1
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0016 0.0907 1
Echinococcus multilocularis Na+:K+ ATPase alpha subunit 0.0035 0.2903 0.2461
Entamoeba histolytica Plasma membrane calcium-transporting ATPase, putative 0.0015 0.0776 0.8551
Echinococcus multilocularis sodium:potassium transporting ATPase subunit 0.0101 1 1
Leishmania major vacuolar-type Ca2 -ATPase, putative 0.0015 0.0776 1
Loa Loa (eye worm) calcium ATPase 0.001 0.0204 0.0136
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0015 0.0776 0.8167
Echinococcus granulosus Na:K ATPase alpha subunit 0.0035 0.2903 0.2461
Plasmodium falciparum non-SERCA-type Ca2+ -transporting P-ATPase 0.0016 0.0907 1
Loa Loa (eye worm) E1-E2 ATPase 0.001 0.019 0.0122
Trypanosoma brucei P-type H+-ATPase, putative 0.001 0.019 0.1712
Echinococcus granulosus nervana 2 0.0062 0.5825 0.5565
Schistosoma mansoni sodium/potassium-dependent atpase beta subunit 0.0101 1 1
Trichomonas vaginalis cation-transporting ATPase, putative 0.0015 0.0776 0.8167
Toxoplasma gondii plasma membrane-type Ca(2+)-ATPase A1 PMCAA1 0.0013 0.0586 0.5516
Trypanosoma brucei P-type H+-ATPase, putative 0.001 0.019 0.1712
Trypanosoma cruzi calcium motive p-type ATPase, putative 0.0013 0.0586 0.731
Echinococcus granulosus calcium transporting ATPase type 2C member 0.0016 0.0907 0.0342
Trypanosoma cruzi calcium motive p-type ATPase, putative 0.0013 0.0586 0.731
Echinococcus multilocularis sarco:endoplasmic reticulum calcium ATPase 0.0015 0.0776 0.0202
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0062 0.5825 0.5565
Loa Loa (eye worm) hypothetical protein 0.0026 0.1991 0.1935
Mycobacterium ulcerans metal cation transporter p-type ATPase a 0.0036 0.3093 1
Trypanosoma cruzi P-type H+-ATPase, putative 0.001 0.019 0.1712
Entamoeba histolytica plasma membrane calcium ion-transporting ATPase, putative 0.001 0.0204 0.2249
Echinococcus granulosus sarco:endoplasmic reticulum calcium ATPase 0.0015 0.0776 0.0202
Echinococcus multilocularis calcium transporting ATPase type 2C member 0.0016 0.0907 0.0342
Brugia malayi E1-E2 ATPase family protein 0.0011 0.0322 0.08
Leishmania major calcium motive p-type ATPase, putative 0.0013 0.0586 0.6754
Loa Loa (eye worm) hypothetical protein 0.0101 1 1
Echinococcus multilocularis nervana 2 0.0062 0.5825 0.5565
Schistosoma mansoni na+/k+ atpase alpha subunit 0.0035 0.2903 0.2461
Trypanosoma cruzi P-type H+-ATPase, putative 0.001 0.019 0.1712
Trypanosoma brucei calcium motive p-type ATPase, putative 0.0013 0.0586 0.731
Brugia malayi haloacid dehalogenase-like hydrolase family protein 0.001 0.0204 0.0428
Echinococcus multilocularis nervana 2 0.0101 1 1
Leishmania major vacuolar-type Ca2 -ATPase, putative 0.0015 0.0776 1
Trichomonas vaginalis cation-transporting ATPase fungi, putative 0.0015 0.0776 0.8167
Giardia lamblia Potassium-transporting ATPase alpha chain 1 0.0035 0.2903 1
Echinococcus granulosus nervana 2 0.0101 1 1
Echinococcus multilocularis nervana 2 0.0062 0.5825 0.5565
Trypanosoma brucei vacuolar-type Ca2+-ATPase, putative 0.0015 0.0776 1
Mycobacterium ulcerans metal cation-transporting p-type ATPase F, CtpF 0.0016 0.0907 0.2287
Loa Loa (eye worm) Na,K-ATPase alpha subunit 0.0038 0.3225 0.3177
Trypanosoma cruzi plasma membrane Ca2+ ATPase 0.0015 0.0776 1
Toxoplasma gondii calcium-translocating P-type ATPase, PMCA-type protein 0.0015 0.0776 0.8167
Toxoplasma gondii sarco/endoplasmic reticulum Ca2+-ATPase 0.0016 0.0907 1
Mycobacterium leprae PROBABLE CATION-TRANSPORTER ATPASE I CTPI 0.0032 0.2577 0.5
Schistosoma mansoni ATPase 0.0015 0.0776 0.0202
Schistosoma mansoni Na+/K+ transporting ATPase subunit alpha 0.0038 0.3225 0.2803

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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