Detailed information for compound 1108583

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 341.381 | Formula: C18H15NO4S
  • H donors: 0 H acceptors: 2 LogP: 3.44 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)c1ccc2c(c1)n(C(=O)CCc1ccccc1)c(=S)o2
  • InChi: 1S/C18H15NO4S/c1-22-17(21)13-8-9-15-14(11-13)19(18(24)23-15)16(20)10-7-12-5-3-2-4-6-12/h2-6,8-9,11H,7,10H2,1H3
  • InChiKey: HFKVXJZVDCACGJ-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
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0049 0.2727 0.4819
Giardia lamblia NADH oxidase lateral transfer candidate 0.0016 0.0637 0.5
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0105 0.6235 0.8837
Trypanosoma cruzi trypanothione reductase, putative 0.0046 0.2528 1
Echinococcus multilocularis Niemann Pick C1 protein 0.0138 0.8245 0.8233
Schistosoma mansoni cpg binding protein 0.003 0.1492 0.1431
Toxoplasma gondii thioredoxin reductase 0.0046 0.2528 0.8529
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.1392 0.246
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0016 0.0637 0.1126
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0178 0.0315
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0016 0.0637 0.057
Plasmodium falciparum thioredoxin reductase 0.0016 0.0637 0.2521
Brugia malayi glutathione reductase 0.0046 0.2528 0.4467
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.2727 0.2675
Echinococcus granulosus cpg binding protein 0.003 0.1492 0.1431
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0178 0.0108
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0012 0.0371 0.0656
Schistosoma mansoni hypothetical protein 0.004 0.2127 0.2071
Schistosoma mansoni cpg binding protein 0.0028 0.1392 0.133
Schistosoma mansoni hypothetical protein 0.004 0.2127 0.2071
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.2727 0.2675
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0016 0.0637 0.5
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0117 0.6972 1
Plasmodium falciparum glutathione reductase 0.0046 0.2528 1
Trichomonas vaginalis mercuric reductase, putative 0.0016 0.0637 0.2764
Schistosoma mansoni hypothetical protein 0.004 0.2127 0.2071
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.2727 0.2675
Leishmania major trypanothione reductase 0.0046 0.2528 1
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0016 0.0637 0.2521
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0096 0.566 0.5
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0016 0.0637 0.2521
Schistosoma mansoni hypothetical protein 0.0166 1 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.2528 0.2475
Loa Loa (eye worm) hypothetical protein 0.0041 0.222 0.3923
Brugia malayi CHE-14 protein 0.0041 0.222 0.3923
Echinococcus granulosus Niemann Pick C1 protein 0.0096 0.566 0.5629
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0016 0.0637 0.5
Plasmodium vivax thioredoxin reductase, putative 0.0046 0.2528 1
Loa Loa (eye worm) glutathione reductase 0.0046 0.2528 0.4467
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.2727 0.2675
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0012 0.0371 0.0656
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0105 0.6235 0.8837
Echinococcus multilocularis geminin 0.0166 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.222 1
Plasmodium falciparum thioredoxin reductase 0.0046 0.2528 1
Echinococcus granulosus Protein patched homolog 1 0.0041 0.222 0.2164
Plasmodium falciparum glutathione reductase 0.0016 0.0637 0.2521
Trichomonas vaginalis glutathione reductase, putative 0.0016 0.0637 0.2764
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0046 0.2528 0.2985
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0016 0.0637 0.5
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0117 0.6972 1
Toxoplasma gondii histone lysine methyltransferase SET1 0.0053 0.2964 1
Echinococcus multilocularis protein patched 0.0041 0.222 0.2164
Echinococcus granulosus expressed conserved protein 0.009 0.5294 0.5261
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.2727 0.2675
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0105 0.6235 0.8837
Echinococcus multilocularis Niemann Pick C1 protein 0.0096 0.566 0.5629
Treponema pallidum NADH oxidase 0.0016 0.0637 0.5
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0117 0.6972 1
Loa Loa (eye worm) hypothetical protein 0.0096 0.566 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0016 0.0637 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.2727 0.2675
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0016 0.0637 0.5
Plasmodium vivax glutathione reductase, putative 0.0046 0.2528 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0178 0.0108
Echinococcus multilocularis cpg binding protein 0.003 0.1492 0.1431
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0016 0.0637 0.5
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0171 0.0303
Mycobacterium tuberculosis Probable reductase 0.0105 0.6235 0.8837
Toxoplasma gondii NADPH-glutathione reductase 0.0016 0.0637 0.215
Schistosoma mansoni hypothetical protein 0.004 0.2127 0.2071
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0016 0.0637 0.2521
Echinococcus granulosus sterol regulatory element binding protein 0.0041 0.222 0.2164
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0041 0.222 0.3923
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0049 0.2727 0.4819
Trypanosoma brucei trypanothione reductase 0.0046 0.2528 1
Brugia malayi Niemann-Pick C1 protein precursor 0.0096 0.566 1
Echinococcus multilocularis protein dispatched 1 0.0047 0.2586 0.2532
Echinococcus granulosus Niemann Pick C1 protein 0.0138 0.8245 0.8233
Brugia malayi Thioredoxin reductase 0.0046 0.2528 0.4467
Mycobacterium tuberculosis Probable dehydrogenase 0.0105 0.6235 0.8837
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.2727 0.2675
Schistosoma mansoni mixed-lineage leukemia protein mll 0.006 0.3363 0.3315
Loa Loa (eye worm) hypothetical protein 0.0051 0.2802 0.4951
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0016 0.0637 0.215
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0016 0.0637 0.2521
Brugia malayi CXXC zinc finger family protein 0.0028 0.1392 0.246
Schistosoma mansoni patched 1 0.0041 0.222 0.2164
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.2528 0.4467
Echinococcus multilocularis sterol regulatory element binding protein 0.0041 0.222 0.2164
Onchocerca volvulus 0.0028 0.1392 1
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0016 0.0637 0.057
Schistosoma mansoni hypothetical protein 0.0166 1 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0117 0.6972 1
Schistosoma mansoni cpg binding protein 0.003 0.1492 0.1431
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.2528 0.2475
Echinococcus multilocularis expressed conserved protein 0.009 0.5294 0.5261
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0016 0.0637 0.057
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0098 0.5753 0.5722
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0105 0.6235 0.8837

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.