Detailed information for compound 654287

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 286.349 | Formula: C15H14N2O2S
  • H donors: 2 H acceptors: 2 LogP: 3.56 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: C=CCc1cccc(c1O)/C=N/NC(=O)c1cccs1
  • InChi: 1S/C15H14N2O2S/c1-2-5-11-6-3-7-12(14(11)18)10-16-17-15(19)13-8-4-9-20-13/h2-4,6-10,18H,1,5H2,(H,17,19)/b16-10+
  • InChiKey: CPQLPKASEWSXCN-MHWRWJLKSA-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
Loa Loa (eye worm) matrixin family protein 0.140655 0.552936 1
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.211506 0.851931 1
Echinococcus granulosus glutamate NMDA receptor subunit 0.0134446 0.0160975 0.0188953
Onchocerca volvulus Matrilysin homolog 0.129023 0.503847 1
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.246592 1 1
Brugia malayi Matrixin family protein 0.0581721 0.204851 0.330981
Trypanosoma cruzi UDP-galactopyranose mutase 0.0173657 0.0326445 0.5
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.0708507 0.258356 0.433817
Schistosoma mansoni hypothetical protein 0.0824829 0.307445 0.964542
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0173657 0.0326445 0.0547809
Mycobacterium ulcerans hydrolase 0.0708507 0.258356 0.233328
Loa Loa (eye worm) matrixin family protein 0.129023 0.503847 0.905651
Plasmodium vivax hypothetical protein, conserved 0.0173657 0.0326445 0.5
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0173657 0.0326445 0.5
Mycobacterium leprae PROBABLE HYDROLASE 0.0708507 0.258356 1
Echinococcus granulosus lysine specific histone demethylase 1A 0.0173657 0.0326445 0.0383182
Loa Loa (eye worm) hypothetical protein 0.0581721 0.204851 0.330981
Schistosoma mansoni matrix metallopeptidase-9 (M10 family) 0.0850208 0.318155 1
Schistosoma mansoni amine oxidase 0.0173657 0.0326445 0.0547809
Plasmodium vivax hypothetical protein, conserved 0.0173657 0.0326445 0.5
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.211506 0.851931 1
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0173657 0.0326445 0.0547809
Leishmania major UDP-galactopyranose mutase 0.0173657 0.0326445 0.5
Brugia malayi Matrixin family protein 0.0581721 0.204851 0.330981
Loa Loa (eye worm) matrix metalloproteinase 0.0581721 0.204851 0.330981
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.0581721 0.204851 0.624894
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0173657 0.0326445 0.5
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.229227 0.926715 1
Chlamydia trachomatis protoporphyrinogen oxidase 0.0173657 0.0326445 0.5
Loa Loa (eye worm) hypothetical protein 0.0581721 0.204851 0.330981
Schistosoma mansoni glutamate receptor NMDA 0.0152641 0.0237758 0.0254199
Echinococcus multilocularis 0.0173657 0.0326445 0.0383182
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0173657 0.0326445 0.5
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.246592 1 1
Toxoplasma gondii histone lysine-specific demethylase 0.0173657 0.0326445 0.5
Brugia malayi Matrixin family protein 0.0581721 0.204851 0.330981
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0173657 0.0326445 0.5
Loa Loa (eye worm) hypothetical protein 0.0581721 0.204851 0.330981
Loa Loa (eye worm) hypothetical protein 0.0708507 0.258356 0.433817
Onchocerca volvulus Matrix metalloproteinase homolog 0.129023 0.503847 1
Onchocerca volvulus 0.0581721 0.204851 0.365462
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0173657 0.0326445 0.5
Plasmodium falciparum protoporphyrinogen oxidase 0.0173657 0.0326445 0.5
Brugia malayi Hemopexin family protein 0.0824829 0.307445 0.528166
Onchocerca volvulus Matrilysin homolog 0.0581721 0.204851 0.365462
Brugia malayi Matrixin family protein 0.0581721 0.204851 0.330981
Brugia malayi Matrixin family protein 0.140655 0.552936 1
Trypanosoma cruzi UDP-galactopyranose mutase 0.0173657 0.0326445 0.5
Schistosoma mansoni amine oxidase 0.0173657 0.0326445 0.0547809
Mycobacterium tuberculosis Probable peptidoglycan hydrolase 0.0708507 0.258356 0.252453
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.0134446 0.0160975 0.0188953
Echinococcus granulosus lysine specific histone demethylase 1A 0.0173657 0.0326445 0.0383182
Echinococcus multilocularis protoporphyrinogen oxidase 0.0173657 0.0326445 0.0383182
Onchocerca volvulus 0.0824829 0.307445 0.583189
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0173657 0.0326445 0.0383182

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 6.81 uM Plasmodium falciparum K1 EC50 (uM) as measured by SYBR green dye Saint Jude. 20485428
EC50 (functional) 6.811 uM ST_JUDE: Plasmodium falciparum K1 EC50 (uM) as measured by SYBR green dye ChEMBL. 20485428
EC50 (functional) = 15 uM Plasmodium falciparum 3D7 EC50 (uM) as measured by SYBR green dye Saint Jude. 20485428
EC50 (functional) > 15 uM ST_JUDE: Plasmodium falciparum 3D7 EC50 (uM) as measured by SYBR green dye ChEMBL. 20485428
IC50 (functional) > 10.42 uM DNDI DNDI. No reference
Percent growth inhibition (functional) = 75.7 % Plasmodium falciparum 3D7 % growth inhibition at 7uM as measured by SYBR green dye Saint Jude. 20485428
Percent growth inhibition (functional) = 81.2 % Plasmodium falciparum 3D7 % growth inhibition at 7uM as measured by YOYO-3 red dye Saint Jude. 20485428

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Trypanosoma brucei gambiense
Plasmodium falciparum ChEMBL23 20485428

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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