Detailed information for compound 132074

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 311.744 | Formula: C12H10ClN3O3S
  • H donors: 2 H acceptors: 4 LogP: 2.16 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(NS(=O)(=O)c1cccnc1)Nc1ccc(cc1)Cl
  • InChi: 1S/C12H10ClN3O3S/c13-9-3-5-10(6-4-9)15-12(17)16-20(18,19)11-2-1-7-14-8-11/h1-8H,(H2,15,16,17)
  • InChiKey: GDDKTWGCJBPKOC-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
Schistosoma mansoni glutamate receptor AMPA 0.0107 0.0893 0.2302
Schistosoma mansoni ATP-binding cassette transporter 0.0107 0.0893 0.2302
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0218 0.299 0.2959
Echinococcus multilocularis neutral amino acid transporter A 0.0139 0.1506 0.1468
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0058 0.0037
Echinococcus granulosus excitatory amino acid transporter 2 0.0139 0.1506 0.1456
Schistosoma mansoni glutamate receptor NMDA 0.0127 0.1275 0.3337
Echinococcus multilocularis NMDA receptor 0.0131 0.1342 0.1303
Echinococcus multilocularis glutamate receptor 2 0.0127 0.1275 0.1236
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0058 0.0037
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) 0.0229 0.3192 0.8535
Schistosoma mansoni glutamate receptor kainate 0.0198 0.2609 0.6954
Echinococcus granulosus neutral amino acid transporter A 0.0139 0.1506 0.1456
Echinococcus multilocularis neutral amino acid transporter A 0.0139 0.1506 0.1468
Loa Loa (eye worm) excitatory amino acid transporter 0.0139 0.1506 0.4717
Wolbachia endosymbiont of Brugia malayi Na+/H+-dicarboxylate symporter 0.0139 0.1506 0.5
Echinococcus granulosus glutamate NMDA receptor subunit 0.0107 0.0893 0.084
Echinococcus granulosus Excitatory amino acid transporter 0.0139 0.1506 0.1456
Mycobacterium tuberculosis Probable C4-dicarboxylate-transport transmembrane protein DctA 0.0139 0.1506 0.5
Loa Loa (eye worm) glutamate receptor 1 0.0107 0.0893 0.2799
Brugia malayi hypothetical protein 0.0205 0.2746 1
Schistosoma mansoni dihydropyridine-sensitive l-type calcium channel 0.0258 0.3732 1
Loa Loa (eye worm) RNA binding protein 0.0062 0.0058 0.0183
Loa Loa (eye worm) TAR-binding protein 0.0062 0.0058 0.0183
Echinococcus multilocularis excitatory amino acid transporter 2 0.0139 0.1506 0.1468
Echinococcus granulosus sodium:dicarboxylate symporter 0.0139 0.1506 0.1456
Schistosoma mansoni glutamate receptor NMDA 0.0107 0.0893 0.2302
Echinococcus granulosus voltage dependent calcium channel subunit 0.0268 0.3938 0.3903
Onchocerca volvulus Excitatory amino acid transporter homolog 0.0139 0.1506 0.5
Echinococcus multilocularis glutamate receptor 2 0.0107 0.0893 0.0852
Loa Loa (eye worm) glutamate receptor 2 0.0107 0.0893 0.2799
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0218 0.299 0.2949
Echinococcus granulosus excitatory amino acid transporter 2 0.0139 0.1506 0.1456
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0094 0.0656 0.0613
Echinococcus granulosus neutral amino acid transporter 0.0139 0.1506 0.1456
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0131 0.1342 0.1303
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.0107 0.0893 0.0852
Schistosoma mansoni solute carrier family 1 (glial high affinity glutamate transporter 0.0139 0.1506 0.3962
Schistosoma mansoni glutamate receptor kainate 0.0107 0.0893 0.2302
Echinococcus multilocularis excitatory amino acid transporter 3 0.0139 0.1506 0.1468
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0218 0.299 0.2959
Echinococcus granulosus Excitatory amino acid transporter 0.0139 0.1506 0.1456
Schistosoma mansoni glutamate receptor AMPA 0.0107 0.0893 0.2302
Echinococcus granulosus neutral amino acid transporter A 0.0139 0.1506 0.1456
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter 0.0139 0.1506 0.1468
Echinococcus granulosus excitatory amino acid transporter 3 0.0139 0.1506 0.1456
Schistosoma mansoni glutamate receptor kainate 0.0198 0.2609 0.6954
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0127 0.1275 0.1236
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0127 0.1275 0.1224
Loa Loa (eye worm) hypothetical protein 0.0119 0.112 0.351
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0058 0.0037
Brugia malayi Glutamate receptor 2 precursor 0.0107 0.0893 0.3107
Schistosoma mansoni serine-rich repeat protein 0.0139 0.1493 0.3929
Chlamydia trachomatis glutamate symporter 0.0139 0.1506 1
Echinococcus granulosus leukotriene A 4 hydrolase 0.0229 0.3192 0.3152
Echinococcus multilocularis neutral amino acid transporter A 0.0139 0.1506 0.1468
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0094 0.0656 0.0601
Echinococcus multilocularis voltage dependent calcium channel subunit 0.0268 0.3938 0.3911
Brugia malayi Excitatory amino acid transporter 0.0139 0.1506 0.5386
Brugia malayi jmjC domain containing protein 0.0094 0.0656 0.2222
Echinococcus granulosus glutamate receptor ionotropic kainate 0.0131 0.1342 0.1291
Echinococcus multilocularis glutamate receptor ionotropic kainate 0.0131 0.1342 0.1303
Echinococcus multilocularis Excitatory amino acid transporter 0.0139 0.1506 0.1468
Treponema pallidum methyl-accepting chemotaxis protein (mcp2-1) 0.0547 0.9178 1
Loa Loa (eye worm) leukotriene A4 hydrolase 0.0229 0.3192 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0058 0.0037
Echinococcus multilocularis glutamate receptor 2 0.0088 0.0531 0.0488
Echinococcus granulosus glutamate receptor 2 0.0127 0.1275 0.1224
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0218 0.299 0.2959
Echinococcus multilocularis Excitatory amino acid transporter 0.0139 0.1506 0.1468
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0218 0.299 0.2949
Echinococcus granulosus glutamate receptor ionotropic kainate 3 0.0131 0.1342 0.1291
Schistosoma mansoni jumonji domain containing protein 0.0075 0.0291 0.0667
Brugia malayi Glutamate receptor 1 precursor 0.0107 0.0893 0.3107
Echinococcus multilocularis voltage dependent calcium channel subunit 0.059 1 1
Echinococcus granulosus glutamate receptor 2 0.0088 0.0531 0.0475
Schistosoma mansoni dihydropyridine-sensitive l-type calcium channel 0.013 0.1327 0.3477
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.0058 0.0183
Brugia malayi Cache domain containing protein 0.0119 0.112 0.3952
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0218 0.299 0.2949
Echinococcus multilocularis tar DNA binding protein 0.0062 0.0058 0.0014
Schistosoma mansoni hypothetical protein 0.0139 0.1493 0.3929
Echinococcus multilocularis leukotriene A 4 hydrolase 0.0229 0.3192 0.3161
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0058 0.0037
Echinococcus multilocularis sodium:dicarboxylate symporter 0.0139 0.1506 0.1468
Echinococcus multilocularis excitatory amino acid transporter 2 0.0139 0.1506 0.1468

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 7.1 ug ml-1 Concentration required to inhibit growth of CCRF-CEM cells in culture for 72 h to 50% of control growth ChEMBL. 2391684
IC50 (functional) = 7.1 ug ml-1 Concentration required to inhibit growth of CCRF-CEM cells in culture for 72 h to 50% of control growth ChEMBL. 2391684
Inhibition (functional) = 3 % Antitumor activity in vivo against the 6C3HED lymphosarcoma, dosed for 10 days at 300 mg/kg ChEMBL. 2391684

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 2391684

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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