Detailed information for compound 309783

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 385.222 | Formula: C15H10Cl2N2O4S
  • H donors: 2 H acceptors: 3 LogP: 4.6 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)NC(=O)NS(=O)(=O)c1oc2c(c1)cc(cc2)Cl
  • InChi: 1S/C15H10Cl2N2O4S/c16-10-1-4-12(5-2-10)18-15(20)19-24(21,22)14-8-9-7-11(17)3-6-13(9)23-14/h1-8H,(H2,18,19,20)
  • InChiKey: QJLCFHLTMFBQHT-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

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
Trypanosoma cruzi Calcium ATPase SERCA-like 0.0792 0.5421 1
Brugia malayi haloacid dehalogenase-like hydrolase family protein 0.0446 0.1929 0.2957
Loa Loa (eye worm) hypothetical protein 0.0792 0.5421 0.5421
Toxoplasma gondii P-type ATPase4, putative 0.0793 0.5434 1
Schistosoma mansoni sodium / potassium ATPase beta chain 0.1245 1 1
Echinococcus granulosus Na:K ATPase alpha subunit 0.0661 0.4099 0.0383
Loa Loa (eye worm) hypothetical protein 0.1245 1 1
Echinococcus multilocularis nervana 2 0.1245 1 1
Brugia malayi Probable calcium-transporting ATPase KIAA0703 0.0383 0.1289 0.1752
Loa Loa (eye worm) sodium potassium adenosine triphosphatase 0.0347 0.0931 0.0931
Brugia malayi Na,K-ATPase alpha subunit 0.0816 0.567 1
Loa Loa (eye worm) E1-E2 ATPase 0.0503 0.2501 0.2501
Echinococcus multilocularis Tetracycline resistance leader peptide, TetL 0.0793 0.5434 0.2559
Trypanosoma brucei P-type H+-ATPase, putative 0.0503 0.2501 0.2934
Loa Loa (eye worm) sodium/potassium-transporting ATPase subunit alpha 0.0561 0.3094 0.3094
Loa Loa (eye worm) hypothetical protein 0.0347 0.0931 0.0931
Echinococcus multilocularis sarco:endoplasmic reticulum calcium ATPase 0.0792 0.5421 0.2538
Echinococcus granulosus nervana 2 0.1245 1 1
Mycobacterium ulcerans metal cation transporter p-type ATPase a 0.0815 0.5656 1
Loa Loa (eye worm) calcium ATPase 0.0446 0.1929 0.1929
Trypanosoma cruzi plasma membrane Ca2+ ATPase 0.0792 0.5421 1
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0638 0.3864 0.4645
Onchocerca volvulus 0.1245 1 1
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.1245 1 1
Trypanosoma brucei calcium motive p-type ATPase, putative 0.0638 0.3864 0.6232
Mycobacterium ulcerans metal cation-transporting p-type ATPase F, CtpF 0.0793 0.5434 0.921
Entamoeba histolytica plasma membrane calcium-transporting ATPase 1, putative 0.0445 0.1915 0.2163
Trichomonas vaginalis cation-transporting ATPase, putative 0.0792 0.5421 0.9954
Loa Loa (eye worm) hypothetical protein 0.0383 0.1289 0.1289
Entamoeba histolytica Plasma membrane calcium-transporting ATPase, putative 0.0792 0.5421 0.997
Entamoeba histolytica Plasma membrane calcium-transporting ATPase, putative 0.0792 0.5421 0.997
Toxoplasma gondii sarco/endoplasmic reticulum Ca2+-ATPase 0.0793 0.5434 1
Trypanosoma brucei calcium-translocating P-type ATPase 0.0638 0.3864 0.6232
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.1245 1 1
Loa Loa (eye worm) hypothetical protein 0.1245 1 1
Echinococcus granulosus nervana 2 0.1245 1 1
Plasmodium falciparum non-SERCA-type Ca2+ -transporting P-ATPase 0.0793 0.5434 1
Trichomonas vaginalis cation-transporting ATPase fungi, putative 0.0792 0.5421 0.9954
Schistosoma mansoni ATPase 0.0792 0.5421 0.2538
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.1245 1 1
Trypanosoma cruzi P-type H+-ATPase, putative 0.0503 0.2501 0.4248
Trypanosoma cruzi P-type H+-ATPase, putative 0.0347 0.0931 0.1155
Brugia malayi Calcium-transporting ATPase sarcoplasmic/endoplasmic reticulum type 0.0638 0.3864 0.66
Brugia malayi Membrane calcium atpase protein 3 0.0638 0.3864 0.66
Leishmania major vacuolar-type Ca2 -ATPase, putative 0.0792 0.5421 1
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.1245 1 1
Brugia malayi E1-E2 ATPase family protein 0.0504 0.2515 0.406
Trichomonas vaginalis cation-transporting ATPase, putative 0.0792 0.5421 0.9954
Schistosoma mansoni sodium/potassium-dependent atpase beta subunit 0.1245 1 1
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0792 0.5421 0.9954
Trypanosoma cruzi calcium motive p-type ATPase, putative 0.0638 0.3864 0.6932
Echinococcus granulosus sodium:potassium transporting ATPase subunit 0.1245 1 1
Echinococcus multilocularis Na+:K+ ATPase alpha subunit 0.0661 0.4099 0.0383
Trypanosoma cruzi calcium-translocating P-type ATPase, putative 0.0347 0.0931 0.1155
Mycobacterium tuberculosis Possible metal cation transporting P-type ATPase CtpH 0.0537 0.2846 0.5
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0792 0.5421 0.9954
Leishmania major calcium-translocating P-type ATPase 0.0792 0.5421 1
Trypanosoma brucei vacuolar-type Ca2+-ATPase 1 0.0792 0.5421 1
Schistosoma mansoni Na+/K+ transporting ATPase subunit alpha 0.0816 0.567 0.2943
Schistosoma mansoni transmemberane protein 0.1245 1 1
Trypanosoma cruzi plasma-membrane proton-efflux P-type ATPase, putative 0.0347 0.0931 0.1155
Loa Loa (eye worm) hypothetical protein 0.0312 0.058 0.058
Brugia malayi Sodium/potassium-transporting ATPase alpha chain, putative 0.0561 0.3094 0.5152
Trypanosoma cruzi P-type H+-ATPase, putative 0.0503 0.2501 0.4248
Toxoplasma gondii calcium-translocating P-type ATPase, PMCA-type protein 0.0792 0.5421 0.997
Echinococcus granulosus sarco:endoplasmic reticulum calcium ATPase 0.0792 0.5421 0.2538
Leishmania major calcium-transporting ATPase, putative 0.0638 0.3864 0.4666
Leishmania major calcium motive p-type ATPase, putative 0.0638 0.3864 0.4666
Echinococcus granulosus nervana 2 0.1245 1 1
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0793 0.5434 1
Trypanosoma cruzi calcium motive p-type ATPase, putative 0.0638 0.3864 0.6932
Giardia lamblia Potassium-transporting ATPase alpha chain 1 0.0661 0.4099 0.1583
Schistosoma mansoni ATPase 0.0792 0.5421 0.2538
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.1245 1 1
Toxoplasma gondii P-type ATPase PMA1 0.0503 0.2501 0.3487
Loa Loa (eye worm) calcium-transporting ATPase sarcoplasmic/endoplasmic reticulum type 0.0383 0.1289 0.1289
Echinococcus multilocularis nervana 2 0.1245 1 1
Leishmania major P-type ATPase, putative 0.0638 0.3864 0.4666
Loa Loa (eye worm) Na,K-ATPase alpha subunit 0.0816 0.567 0.567
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0792 0.5421 0.9954
Giardia lamblia Plasma membrane calcium-transporting ATPase 2 0.0792 0.5421 1
Onchocerca volvulus 0.1245 1 1
Trichomonas vaginalis cation-transporting ATPase, putative 0.0792 0.5421 0.9954
Echinococcus multilocularis nervana 2 0.1245 1 1
Toxoplasma gondii plasma membrane-type Ca(2+)-ATPase A1 PMCAA1 0.0638 0.3864 0.6513
Mycobacterium leprae PROBABLE CATION-TRANSPORTER ATPASE I CTPI 0.056 0.3081 0.5
Trypanosoma brucei P-type H+-ATPase, putative 0.0503 0.2501 0.2934
Echinococcus multilocularis nervana 2 0.1245 1 1
Loa Loa (eye worm) hypothetical protein 0.0816 0.567 0.567
Echinococcus granulosus calcium transporting ATPase type 2C member 0.0793 0.5434 0.2559
Trypanosoma brucei vacuolar-type Ca2+-ATPase 2 0.0792 0.5421 1
Schistosoma mansoni sodium/potassium-dependent atpase beta subunit 0.1245 1 1
Entamoeba histolytica Plasma membrane calcium-transporting ATPase, putative 0.0792 0.5421 0.997
Trypanosoma cruzi calcium-transporting ATPase, putative 0.0383 0.1289 0.186
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0792 0.5421 0.9954
Trypanosoma cruzi plasma membrane Ca2+ ATPase 0.0792 0.5421 1
Echinococcus multilocularis sodium:potassium transporting ATPase subunit 0.1245 1 1
Schistosoma mansoni sodium/potassium-dependent atpase beta subunit 0.1245 1 1
Loa Loa (eye worm) hypothetical protein 0.0271 0.0161 0.0161
Brugia malayi Sodium/potassium-transporting ATPase alpha-3 chain, putative 0.0347 0.0931 0.1078
Echinococcus granulosus nervana 2 0.1245 1 1
Echinococcus multilocularis calcium transporting ATPase type 2C member 0.0793 0.5434 0.2559
Schistosoma mansoni na+/k+ atpase alpha subunit 0.0661 0.4099 0.0383
Leishmania major vacuolar-type Ca2 -ATPase, putative 0.0792 0.5421 1
Entamoeba histolytica plasma membrane calcium ion-transporting ATPase, putative 0.0446 0.1929 0.2192
Trypanosoma brucei vacuolar-type Ca2+-ATPase, putative 0.0792 0.5421 1
Plasmodium vivax P-type ATPase4, putative 0.0793 0.5434 0.5
Echinococcus granulosus plasma membrane calcium transporting ATPase 2 0.0793 0.5434 0.2559
Entamoeba histolytica calcium-transporting P-type ATPase, putative 0.0793 0.5434 1
Plasmodium vivax calcium-transporting ATPase, putative 0.0793 0.5434 0.5
Brugia malayi calcium ATPase 0.0347 0.0931 0.1078

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = 40 % Inhibition of tumour growth in 6C3HED lymphosarcoma inoculated mice following 150 mg/kg p.o. o.d. ChEMBL. No reference
Ratio (ADMET) = Compound was evaluated for toxicity expressed as the ratio of number of deaths to the number of animals; 0/8 ChEMBL. No reference
Ratio (ADMET) = 0 Compound was evaluated for toxicity expressed as the ratio of number of deaths to the number of animals; 0/8 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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.