Detailed information for compound 1312189

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 238.266 | Formula: C9H10N4O2S
  • H donors: 1 H acceptors: 4 LogP: 1.08 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)c1c(C)n[nH]c1c1snnc1C
  • InChi: 1S/C9H10N4O2S/c1-4-6(9(14)15-3)7(12-10-4)8-5(2)11-13-16-8/h1-3H3,(H,10,12)
  • InChiKey: XAWSNHPXHQNVLR-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917

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 hypothetical protein 0.112 0.8664 1
Loa Loa (eye worm) hypothetical protein 0.081 0.6192 1
Toxoplasma gondii hypothetical protein 0.0138 0.0818 0.7754
Brugia malayi Sodium:neurotransmitter symporter family protein 0.081 0.6192 1
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0138 0.0818 0.1321
Echinococcus granulosus sodium and chloride dependent glycine 0.0138 0.0818 0.0818
Echinococcus multilocularis serotonin transporter 0.081 0.6192 0.6192
Loa Loa (eye worm) serotonin transporter b 0.081 0.6192 1
Plasmodium falciparum amino acid transporter, putative 0.0138 0.0818 0.7754
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0273 0.1901 0.307
Onchocerca volvulus 0.0138 0.0818 0.1321
Loa Loa (eye worm) hypothetical protein 0.0138 0.0818 0.1321
Loa Loa (eye worm) hypothetical protein 0.0138 0.0818 0.1321
Loa Loa (eye worm) solute carrier family 6 member 4 0.081 0.6192 1
Echinococcus granulosus lysine specific demethylase 5A 0.0043 0.0059 0.0059
Loa Loa (eye worm) hypothetical protein 0.0138 0.0818 0.1321
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0138 0.0818 0.0944
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.0138 0.0818 0.0818
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0138 0.0818 0.1321
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0059 0.0068
Onchocerca volvulus 0.0138 0.0818 0.1321
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0059 0.0068
Brugia malayi Kinesin motor domain containing protein 0.0167 0.1054 0.1703
Echinococcus multilocularis sodium and chloride dependent glycine 0.0138 0.0818 0.0818
Loa Loa (eye worm) hypothetical protein 0.081 0.6192 1
Loa Loa (eye worm) hypothetical protein 0.0138 0.0818 0.1321
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.064 0.064
Giardia lamblia Kinesin-5 0.0167 0.1054 1
Brugia malayi jmjC domain containing protein 0.0043 0.0059 0.0096
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0138 0.0818 0.0944
Loa Loa (eye worm) hypothetical protein 0.0138 0.0818 0.1321
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0138 0.0818 0.0944
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.0299 0.0484
Onchocerca volvulus 0.081 0.6192 1
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0138 0.0818 0.5
Loa Loa (eye worm) kinesin-like protein KLP2 0.0167 0.1054 0.1703
Brugia malayi Cytochrome P450 family protein 0.0066 0.0245 0.0396
Brugia malayi follicle stimulating hormone receptor 0.0273 0.1901 0.307
Plasmodium vivax amine transporter, putative 0.0138 0.0818 0.7754
Echinococcus granulosus serotonin transporter 0.081 0.6192 0.6192
Plasmodium falciparum kinesin-5 0.0167 0.1054 1
Plasmodium vivax hypothetical protein, conserved 0.0138 0.0818 0.7754
Loa Loa (eye worm) hypothetical protein 0.006 0.0201 0.0324
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0138 0.0818 0.0818
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0138 0.0818 0.0944
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0138 0.0818 0.7754
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0138 0.0818 0.0944
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.011 0.011
Loa Loa (eye worm) norepinephrine transporter 0.081 0.6192 1
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0138 0.0818 0.0944
Schistosoma mansoni sodium/chloride dependent transporter 0.081 0.6192 0.7146
Schistosoma mansoni sodium/chloride dependent transporter 0.0138 0.0818 0.0944
Brugia malayi hypothetical protein 0.0138 0.0818 0.1321
Onchocerca volvulus 0.0138 0.0818 0.1321
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0138 0.0818 0.7754
Schistosoma mansoni sodium/chloride dependent transporter 0.0138 0.0818 0.0944
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.081 0.6192 0.7146
Plasmodium falciparum transporter, putative 0.0138 0.0818 0.7754
Toxoplasma gondii kinesin motor domain-containing protein 0.0167 0.1054 1
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0138 0.0818 0.0944
Schistosoma mansoni kinesin eg-5 0.0167 0.1054 0.1217
Echinococcus granulosus sodium and chloride dependent glycine 0.0138 0.0818 0.0818
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0138 0.0818 0.1321
Loa Loa (eye worm) hypothetical protein 0.0138 0.0818 0.1321
Echinococcus multilocularis kinesin family 1 0.1287 1 1
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0138 0.0818 0.0818
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.0059 0.0059
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0138 0.0818 0.7754
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0138 0.0818 0.1321
Schistosoma mansoni jumonji domain containing protein 0.0092 0.045 0.052
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0138 0.0818 0.0818
Entamoeba histolytica kinesin, putative 0.0167 0.1054 0.5
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0138 0.0818 0.0818
Plasmodium vivax kinesin-5 0.0167 0.1054 1
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0138 0.0818 0.1321
Echinococcus granulosus jumonji domain containing protein 0.0049 0.011 0.011
Schistosoma mansoni sodium-dependent amino acid transporter 0.0138 0.0818 0.0944
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0138 0.0818 0.0818
Toxoplasma gondii hypothetical protein 0.0138 0.0818 0.7754
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.064 0.064
Brugia malayi jmjC domain containing protein 0.0115 0.064 0.1033
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0138 0.0818 0.0944
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0138 0.0818 0.0818
Loa Loa (eye worm) hypothetical protein 0.0138 0.0818 0.1321
Treponema pallidum sodium- and chloride- dependent transporter 0.081 0.6192 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.0066 0.0245 0.0396
Loa Loa (eye worm) hypothetical protein 0.081 0.6192 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0043 0.0059 0.0096
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0138 0.0818 0.1321
Echinococcus multilocularis sodium and chloride dependent glycine 0.0138 0.0818 0.0818

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 4.4668 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 11.2202 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 29.081 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Glucosidase From Spleen Homogenate. (Class of assay: confirmatory) [Related pubchem assays: 1473, 1466 ] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23

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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