Detailed information for compound 1749967

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 339.411 | Formula: C18H17N3O2S
  • H donors: 1 H acceptors: 3 LogP: 2.36 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc(c1)C(c1scc(n1)c1ccncc1)NC(=O)C
  • InChi: 1S/C18H17N3O2S/c1-12(22)20-17(14-4-3-5-15(10-14)23-2)18-21-16(11-24-18)13-6-8-19-9-7-13/h3-11,17H,1-2H3,(H,20,22)
  • InChiKey: SQQZJTQYEBGIGP-UHFFFAOYSA-N  


Substructure search Similarity search

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
Echinococcus granulosus histone lysine methyltransferase setb 0.0096 0.0358 0.197
Echinococcus granulosus histone acetyltransferase KAT2B 0.0046 0.0095 0.0422
Leishmania major telomerase reverse transcriptase, putative 0.0527 0.2623 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.013 0.0535 0.1521
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0082 0.0284 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0096 0.0358 0.197
Loa Loa (eye worm) hypothetical protein 0.0071 0.0224 0.0596
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0104 0.0397 0.0518
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0093 0.0339 0.186
Schistosoma mansoni peptidase Clp (S14 family) 0.0082 0.0284 0.3952
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0527 0.2623 0.5
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0096 0.0358 0.508
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0046 0.0095 0.0363
Loa Loa (eye worm) hypothetical protein 0.0052 0.0125 0.03
Entamoeba histolytica hypothetical protein 0.0077 0.0257 1
Echinococcus granulosus peptidase Clp S14 family 0.0054 0.0135 0.0654
Schistosoma mansoni cellular tumor antigen P53 0.0052 0.0125 0.1534
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0054 0.0135 0.5
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0082 0.0284 0.1081
Loa Loa (eye worm) transcription factor SMAD2 0.013 0.0535 0.1521
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0158 0.0682 1
Entamoeba histolytica hypothetical protein 0.0077 0.0257 1
Giardia lamblia Telomerase catalytic subunit 0.0527 0.2623 1
Loa Loa (eye worm) hypothetical protein 0.0104 0.0397 0.111
Brugia malayi Probable ClpP-like protease 0.0082 0.0284 0.0361
Loa Loa (eye worm) hypothetical protein 0.0082 0.0284 0.0773
Loa Loa (eye worm) acetyltransferase 0.0158 0.0682 0.1957
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0082 0.0284 0.5
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0077 0.0257 0.1375
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0082 0.0284 0.5
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0082 0.0284 0.5
Schistosoma mansoni transcription factor LCR-F1 0.0077 0.0257 0.3547
Schistosoma mansoni hypothetical protein 0.0071 0.0224 0.3047
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0082 0.0284 0.1532
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0096 0.0358 0.1364
Plasmodium vivax SET domain protein, putative 0.0096 0.0358 0.1364
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0096 0.0358 0.508
Echinococcus multilocularis tumor protein p63 0.0355 0.1721 1
Onchocerca volvulus 0.0096 0.0358 0.0236
Brugia malayi latrophilin 2 splice variant baaae 0.0071 0.0224 0.0278
Plasmodium vivax telomerase reverse transcriptase, putative 0.0527 0.2623 1
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0054 0.0135 0.5
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0077 0.0257 0.1375
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0046 0.0095 0.0363
Brugia malayi Telomerase reverse transcriptase 0.1402 0.7228 1
Toxoplasma gondii RNA-directed DNA polymerase 0.0527 0.2623 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0104 0.0397 0.111
Onchocerca volvulus 0.0764 0.3873 0.3796
Echinococcus granulosus tumor protein p63 0.0355 0.1721 1
Entamoeba histolytica hypothetical protein 0.0077 0.0257 1
Brugia malayi MH2 domain containing protein 0.013 0.0535 0.071
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0096 0.0358 0.508
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0082 0.0284 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0104 0.0397 0.0518
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0096 0.0358 0.508
Brugia malayi hypothetical protein 0.0077 0.0257 0.0324
Echinococcus granulosus histone acetyltransferase KAT2B 0.0153 0.0658 0.374
Trypanosoma brucei telomerase reverse transcriptase 0.0527 0.2623 0.5
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0672 0.3385 1
Trichomonas vaginalis set domain proteins, putative 0.0764 0.3873 1
Plasmodium falciparum telomerase reverse transcriptase 0.0527 0.2623 1
Brugia malayi Pre-SET motif family protein 0.0672 0.3385 0.4666
Plasmodium falciparum histone acetyltransferase GCN5 0.0043 0.0075 0.0285
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0054 0.0135 0.4744
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0082 0.0284 0.1081
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0158 0.0682 0.3877
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0082 0.0284 0.1081
Echinococcus multilocularis peptidase Clp (S14 family) 0.0054 0.0135 0.0654
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0082 0.0284 0.5
Schistosoma mansoni hypothetical protein 0.0077 0.0257 0.3547
Entamoeba histolytica hypothetical protein 0.0077 0.0257 1
Brugia malayi acetyltransferase, GNAT family protein 0.0158 0.0682 0.0913
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0082 0.0284 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0082 0.0284 0.1081
Loa Loa (eye worm) hypothetical protein 0.0096 0.0358 0.0994
Brugia malayi Pre-SET motif family protein 0.0096 0.0358 0.0464
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0527 0.2623 0.5
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0046 0.0095 0.0363
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0096 0.0358 0.197
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0082 0.0284 0.1532

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.

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