Detailed information for compound 665466

Basic information

Technical information
  • TDR Targets ID: 665466
  • Name: ZINC01150836
  • MW: 456.578 | Formula: C23H24N2O4S2
  • H donors: 2 H acceptors: 3 LogP: 4.56 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1NS(=O)(=O)c1ccc(cc1)NC(=O)CSc1ccc(cc1)C)C
  • InChi: 1S/C23H24N2O4S2/c1-16-4-9-19(10-5-16)30-15-23(26)24-18-7-11-20(12-8-18)31(27,28)25-21-14-17(2)6-13-22(21)29-3/h4-14,25H,15H2,1-3H3,(H,24,26)
  • InChiKey: OSFCHHCKVNAZDI-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
Onchocerca volvulus 0.0026 0.1195 0.5
Schistosoma mansoni zinc finger protein 0.0021 0.0486 0.0546
Loa Loa (eye worm) hypothetical protein 0.0019 0.0166 0.0123
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0026 0.1195 0.5
Plasmodium vivax acyl-CoA synthetase, putative 0.0019 0.0166 0.5
Loa Loa (eye worm) hypothetical protein 0.0041 0.3712 0.3972
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.1195 1
Echinococcus granulosus fetal alzheimer antigen falz 0.0024 0.0995 0.1287
Brugia malayi PHD-finger family protein 0.0027 0.1401 0.0234
Loa Loa (eye worm) hypothetical protein 0.0019 0.0166 0.0123
Entamoeba histolytica acyl-coA synthetase, putative 0.0026 0.1195 0.5
Loa Loa (eye worm) hypothetical protein 0.0044 0.4118 0.4413
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0064 0.7374 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.1195 0.5
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0026 0.1195 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.4402 0.594
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0026 0.1195 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0166 0.0123
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.4402 0.548
Echinococcus multilocularis zinc finger protein 0.0021 0.0486 0.0592
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0026 0.1195 1
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0026 0.1195 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.1195 0.124
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0064 0.7374 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.1195 0.124
Schistosoma mansoni bromodomain containing protein 0.0068 0.7988 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.4402 0.3642
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.4402 0.548
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0039 0.3293 0.4427
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0024 0.0995 0.1287
Entamoeba histolytica acyl-CoA synthetase, putative 0.0026 0.1195 0.5
Schistosoma mansoni hypothetical protein 0.0022 0.0667 0.0774
Brugia malayi Bromodomain containing protein 0.0041 0.37 0.2845
Loa Loa (eye worm) PHD-finger family protein 0.0022 0.0667 0.0667
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0026 0.1195 1
Loa Loa (eye worm) hypothetical protein 0.0046 0.4446 0.4769
Echinococcus granulosus zinc finger protein 0.0021 0.0486 0.0592
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0026 0.1195 0.5
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.4402 0.472
Mycobacterium ulcerans hypothetical protein 0.0026 0.1195 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.4402 0.594
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.1195 1
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0024 0.0995 0.1188
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.1195 0.5
Entamoeba histolytica acyl-CoA synthetase, putative 0.0026 0.1195 0.5
Loa Loa (eye worm) hypothetical protein 0.0019 0.0166 0.0123
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.1195 0.5
Loa Loa (eye worm) bromodomain containing protein 0.0019 0.0158 0.0114
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0026 0.1195 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.1195 0.124
Loa Loa (eye worm) hypothetical protein 0.0076 0.9266 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.4402 0.548
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0019 0.0166 0.139
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.1195 1
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0019 0.0166 0.5
Loa Loa (eye worm) hypothetical protein 0.0019 0.0166 0.0123
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.4402 0.594
Plasmodium falciparum acyl-CoA synthetase 0.0019 0.0166 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.4402 0.594
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0039 0.3293 0.4427

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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