Detailed information for compound 1058006

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 329.844 | Formula: C18H16ClNOS
  • H donors: 1 H acceptors: 1 LogP: 4.52 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)C1Sc2ccccc2NC(=C1C(=O)C)C
  • InChi: 1S/C18H16ClNOS/c1-11-17(12(2)21)18(13-7-9-14(19)10-8-13)22-16-6-4-3-5-15(16)20-11/h3-10,18,20H,1-2H3
  • InChiKey: UXMVOOCWSRBBNJ-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 microtubule-associated protein tau 0.0677 0.5937 0.5937
Loa Loa (eye worm) carboxylesterase 0.0188 0.1339 0.1339
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0188 0.1339 0.5
Loa Loa (eye worm) transcription factor SMAD2 0.0117 0.0679 0.0679
Loa Loa (eye worm) carboxylesterase 0.111 1 1
Brugia malayi MH2 domain containing protein 0.0117 0.0679 0.0679
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0188 0.1339 0.1339
Echinococcus granulosus neuroligin 0.0188 0.1339 0.1339
Echinococcus granulosus acetylcholinesterase 0.111 1 1
Brugia malayi Carboxylesterase family protein 0.111 1 1
Loa Loa (eye worm) hypothetical protein 0.0188 0.1339 0.1339
Brugia malayi Carboxylesterase family protein 0.0188 0.1339 0.1339
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0188 0.1339 0.1339
Echinococcus multilocularis BC026374 protein (S09 family) 0.0188 0.1339 0.1339
Echinococcus granulosus para nitrobenzyl esterase 0.0188 0.1339 0.1339
Schistosoma mansoni neuroligin 3 (S09 family) 0.0188 0.1339 0.1339
Schistosoma mansoni BC026374 protein (S09 family) 0.0188 0.1339 0.1339
Brugia malayi Carboxylesterase family protein 0.0188 0.1339 0.1339
Echinococcus granulosus microtubule associated protein 2 0.0677 0.5937 0.5937
Mycobacterium ulcerans carboxylesterase, LipT 0.0188 0.1339 0.5
Brugia malayi Carboxylesterase family protein 0.0188 0.1339 0.1339
Echinococcus granulosus carboxylesterase 5A 0.111 1 1
Echinococcus multilocularis para nitrobenzyl esterase 0.0188 0.1339 0.1339
Brugia malayi Carboxylesterase family protein 0.0188 0.1339 0.1339
Loa Loa (eye worm) acetylcholinesterase 1 0.111 1 1
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0188 0.1339 0.5
Onchocerca volvulus 0.0188 0.1339 0.5
Loa Loa (eye worm) hypothetical protein 0.0188 0.1339 0.1339
Schistosoma mansoni gliotactin 0.0188 0.1339 0.1339
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0188 0.1339 0.1339
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0188 0.1339 0.1339
Echinococcus multilocularis acetylcholinesterase 0.111 1 1
Loa Loa (eye worm) hypothetical protein 0.111 1 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.111 1 1
Onchocerca volvulus 0.0188 0.1339 0.5
Echinococcus multilocularis neuroligin 0.0188 0.1339 0.1339
Onchocerca volvulus 0.0188 0.1339 0.5
Echinococcus multilocularis carboxylesterase 5A 0.111 1 1
Onchocerca volvulus 0.0188 0.1339 0.5
Loa Loa (eye worm) hypothetical protein 0.0188 0.1339 0.1339
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0188 0.1339 0.5
Trichomonas vaginalis spcc417.12 protein, putative 0.0188 0.1339 0.5
Loa Loa (eye worm) hypothetical protein 0.111 1 1
Mycobacterium tuberculosis Carboxylesterase LipT 0.0188 0.1339 0.5
Brugia malayi hypothetical protein 0.0188 0.1339 0.1339
Echinococcus granulosus acetylcholinesterase 0.111 1 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0188 0.1339 0.1339
Echinococcus multilocularis microtubule associated protein 2 0.0677 0.5937 0.5937
Loa Loa (eye worm) MH2 domain-containing protein 0.0117 0.0679 0.0679
Echinococcus multilocularis acetylcholinesterase 0.111 1 1
Loa Loa (eye worm) hypothetical protein 0.0188 0.1339 0.1339
Schistosoma mansoni acetylcholinesterase 0.0188 0.1339 0.1339
Loa Loa (eye worm) hypothetical protein 0.0188 0.1339 0.1339
Loa Loa (eye worm) hypothetical protein 0.0188 0.1339 0.1339
Loa Loa (eye worm) hypothetical protein 0.0188 0.1339 0.1339
Onchocerca volvulus 0.0188 0.1339 0.5
Loa Loa (eye worm) carboxylesterase 0.0188 0.1339 0.1339
Echinococcus granulosus BC026374 protein S09 family 0.0188 0.1339 0.1339

Activities

Activity type Activity value Assay description Source Reference
IZ (functional) Antibacterial activity against Escherichia coli ATCC 44752 at 100 ug/disk after 24 hrs by disk diffusion method ChEMBL. 19144450
IZ (functional) Antibacterial activity against Escherichia coli ATCC 44752 at 200 ug/disk after 24 hrs by disk diffusion method ChEMBL. 19144450
IZ (functional) Antibacterial activity against Escherichia coli ATCC 44752 at 50 ug/disk after 24 hrs by disk diffusion method ChEMBL. 19144450
IZ (functional) = 18 mm Antifungal activity against Candida albicans ATCC 10231 at 50 ug/disk after 24 hrs by disk diffusion method ChEMBL. 19144450
IZ (functional) = 21 mm Antifungal activity against Candida albicans ATCC 10231 at 100 ug/disk after 24 hrs by disk diffusion method ChEMBL. 19144450
IZ (functional) = 24 mm Antifungal activity against Candida albicans ATCC 10231 at 200 ug/disk after 24 hrs by disk diffusion method ChEMBL. 19144450

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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