Detailed information for compound 1643515

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 205.232 | Formula: C7H11NO4S
  • H donors: 3 H acceptors: 4 LogP: -1.74 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: O[C@@H]1CN2C(=O)CS[C@@H]2[C@H]([C@H]1O)O
  • InChi: 1S/C7H11NO4S/c9-3-1-8-4(10)2-13-7(8)6(12)5(3)11/h3,5-7,9,11-12H,1-2H2/t3-,5+,6+,7-/m1/s1
  • InChiKey: RHYZHAPAYLRGOC-RAZZTCBWSA-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
Loa Loa (eye worm) hypothetical protein 0.051 0.0243 0.0243
Loa Loa (eye worm) hypothetical protein 0.0481 0.0199 0.0199
Toxoplasma gondii histone deacetylase HDAC1 0.0806 0.0684 0.0684
Mycobacterium leprae putative cytochrome p450 0.0348 0 0.5
Plasmodium falciparum histone deacetylase 2 0.0806 0.0684 1
Leishmania major histone deacetylase, putative 0.0806 0.0684 0.0684
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.7044 1 1
Loa Loa (eye worm) hypothetical protein 0.0481 0.0199 0.0199
Loa Loa (eye worm) hypothetical protein 0.086 0.0766 0.0766
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0348 0 0.5
Echinococcus multilocularis mitogen activated protein kinase 3 0.7044 1 1
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0481 0.0199 0.0199
Trypanosoma cruzi histone deacetylase, putative 0.0806 0.0684 0.0684
Trypanosoma cruzi histone deacetylase 1, putative 0.0717 0.0552 0.0552
Trypanosoma cruzi histone deacetylase, putative 0.0806 0.0684 0.0684
Trypanosoma cruzi histone deacetylase 1, putative 0.0717 0.0552 0.0552
Loa Loa (eye worm) hypothetical protein 0.2472 0.3173 0.3173
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0481 0.0199 0.0199
Schistosoma mansoni sodium-dependent amino acid transporter 0.0481 0.0199 0.0199
Toxoplasma gondii hypothetical protein 0.0481 0.0199 0.0199
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0348 0 0.5
Trichomonas vaginalis CMGC family protein kinase 0.7044 1 1
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.7044 1 1
Brugia malayi Cytochrome P450 family protein 0.1208 0.1285 0.1285
Loa Loa (eye worm) cytochrome P450 family protein 0.1208 0.1285 0.1285
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0348 0 0.5
Schistosoma mansoni serine/threonine protein kinase 0.7044 1 1
Schistosoma mansoni histone deacetylase hda2 0.0856 0.0759 0.0759
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0481 0.0199 0.0199
Loa Loa (eye worm) serotonin transporter b 0.0481 0.0199 0.0199
Trypanosoma brucei histone deacetylase 1 0.0717 0.0552 0.0552
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0348 0 0.5
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0348 0 0.5
Loa Loa (eye worm) CYP4Cod1 0.1208 0.1285 0.1285
Onchocerca volvulus 0.0481 0.0199 0.5
Loa Loa (eye worm) hypothetical protein 0.0481 0.0199 0.0199
Toxoplasma gondii histone deacetylase HDAC2 0.0717 0.0552 0.0552
Trichomonas vaginalis CMGC family protein kinase 0.7044 1 1
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0348 0 0.5
Loa Loa (eye worm) histone deacetylase 3 0.0717 0.0552 0.0552
Echinococcus granulosus mitogen activated protein kinase 3 0.7044 1 1
Echinococcus multilocularis histone deacetylase 3 0.0717 0.0552 0.0552
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0481 0.0199 0.0199
Plasmodium vivax histone deacetylase 2, putative 0.0806 0.0684 1
Schistosoma mansoni histone deacetylase 4 5 0.0806 0.0684 0.0684
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0348 0 0.5
Echinococcus granulosus sodium and chloride dependent glycine 0.2472 0.3173 0.3173
Brugia malayi Sodium:neurotransmitter symporter family protein 0.2472 0.3173 0.3173
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0348 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0481 0.0199 0.0199
Loa Loa (eye worm) hypothetical protein 0.0717 0.0552 0.0552
Schistosoma mansoni sodium/chloride dependent transporter 0.2472 0.3173 0.3173
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.7044 1 1
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0481 0.0199 0.0199
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.7044 1 1
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0481 0.0199 0.0199
Trichomonas vaginalis CMGC family protein kinase 0.7044 1 1
Trypanosoma cruzi cytochrome P450, putative 0.1208 0.1285 0.1285
Loa Loa (eye worm) histone deacetylase 0.0806 0.0684 0.0684
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0481 0.0199 0.0199
Schistosoma mansoni sodium/chloride dependent transporter 0.0481 0.0199 0.0199
Treponema pallidum sodium- and chloride- dependent transporter 0.0481 0.0199 0.5
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0481 0.0199 0.0199
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0481 0.0199 0.0199
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0481 0.0199 0.0199
Loa Loa (eye worm) solute carrier family 6 member 4 0.0481 0.0199 0.0199
Brugia malayi Cytochrome P450 family protein 0.1208 0.1285 0.1285
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0348 0 0.5
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0481 0.0199 0.5
Trypanosoma cruzi cytochrome P450, putative 0.1208 0.1285 0.1285
Echinococcus multilocularis mitogen activated protein kinase 0.7044 1 1
Echinococcus granulosus serotonin transporter 0.0481 0.0199 0.0199
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0481 0.0199 0.0199
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0481 0.0199 0.0199
Brugia malayi Histone deacetylase family protein 0.0806 0.0684 0.0684
Echinococcus granulosus histone deacetylase 7 0.0806 0.0684 0.0684
Echinococcus granulosus histone deacetylase 3 0.0717 0.0552 0.0552
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0481 0.0199 0.0199
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0481 0.0199 0.0199
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0348 0 0.5
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0481 0.0199 0.0199
Loa Loa (eye worm) cytochrome P450 family protein 0.1208 0.1285 0.1285
Echinococcus multilocularis histone deacetylase 6 0.0806 0.0684 0.0684
Brugia malayi histone deacetylase 1 (HD1) 0.0717 0.0552 0.0552
Loa Loa (eye worm) hypothetical protein 0.0481 0.0199 0.0199
Echinococcus multilocularis sodium and chloride dependent glycine 0.2472 0.3173 0.3173
Leishmania major cytochrome p450-like protein 0.1208 0.1285 0.1285
Trypanosoma brucei histone deacetylase 3 0.0806 0.0684 0.0684
Echinococcus multilocularis histone deacetylase 6 0.0806 0.0684 0.0684
Entamoeba histolytica histone deacetylase, putative 0.0717 0.0552 0.5
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.7044 1 1
Echinococcus granulosus sodium and chloride dependent glycine 0.2472 0.3173 0.3173
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0481 0.0199 0.0199
Leishmania major histone deacetylase, putative 0.0717 0.0552 0.0552
Echinococcus multilocularis serotonin transporter 0.0481 0.0199 0.0199
Giardia lamblia Kinase, CMGC MAPK 0.7044 1 1
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0481 0.0199 0.0199
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0348 0 0.5
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0348 0 0.5
Plasmodium vivax histone deacetylase, putative 0.0806 0.0684 1
Brugia malayi Histone deacetylase family protein 0.0806 0.0684 0.0684
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0481 0.0199 0.0199
Mycobacterium leprae Conserved hypothetical protein 0.0348 0 0.5
Echinococcus multilocularis sodium and chloride dependent glycine 0.2472 0.3173 0.3173
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.2472 0.3173 0.3173
Trypanosoma brucei protein kinase, putative 0.7044 1 1
Toxoplasma gondii histone deacetylase HDAC3 0.0717 0.0552 0.0552
Brugia malayi Histone deacetylase 1 0.0717 0.0552 0.0552
Plasmodium falciparum histone deacetylase, putative 0.0806 0.0684 1
Echinococcus multilocularis histone deacetylase 7 0.0806 0.0684 0.0684
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0348 0 0.5
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0481 0.0199 0.0199
Loa Loa (eye worm) norepinephrine transporter 0.0481 0.0199 0.0199
Trichomonas vaginalis CMGC family protein kinase 0.7044 1 1
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.0481 0.0199 0.0199
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.7044 1 1
Loa Loa (eye worm) histone deacetylase 7A 0.0806 0.0684 0.0684
Echinococcus granulosus histone deacetylase 6 0.0806 0.0684 0.0684
Plasmodium vivax histone deacetylase 1, putative 0.0717 0.0552 0.7275
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0348 0 0.5
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0348 0 0.5
Schistosoma mansoni histone deacetylase 4 5 0.0806 0.0684 0.0684
Schistosoma mansoni sodium/chloride dependent transporter 0.2536 0.3268 0.3268
Echinococcus granulosus mitogen activated protein kinase 0.7044 1 1
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0348 0 0.5
Echinococcus multilocularis histone deacetylase 1 0.0717 0.0552 0.0552
Onchocerca volvulus 0.0481 0.0199 0.5
Trypanosoma brucei histone deacetylase 4 0.0806 0.0684 0.0684
Leishmania major histone deacetylase, putative 0.0806 0.0684 0.0684
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0481 0.0199 0.0199
Brugia malayi hypothetical protein 0.0481 0.0199 0.0199
Trypanosoma brucei cytochrome P450, putative 0.1208 0.1285 0.1285
Schistosoma mansoni histone deacetylase 0.0717 0.0552 0.0552
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0481 0.0199 0.0199
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.1208 0.1285 1
Loa Loa (eye worm) hypothetical protein 0.0481 0.0199 0.0199
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0348 0 0.5
Trypanosoma cruzi histone deacetylase, putative 0.0806 0.0684 0.0684
Plasmodium falciparum histone deacetylase 1 0.0717 0.0552 0.7275
Toxoplasma gondii hypothetical protein 0.0481 0.0199 0.0199
Loa Loa (eye worm) hypothetical protein 0.0481 0.0199 0.0199
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0481 0.0199 0.0199
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0348 0 0.5
Schistosoma mansoni histone deacetylase 0.0717 0.0552 0.0552
Onchocerca volvulus 0.0481 0.0199 0.5
Loa Loa (eye worm) hypothetical protein 0.046 0.0168 0.0168
Loa Loa (eye worm) histone deacetylase 1 0.0717 0.0552 0.0552
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.7044 1 1
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0481 0.0199 0.0199
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0348 0 0.5
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0348 0 0.5
Loa Loa (eye worm) hypothetical protein 0.2472 0.3173 0.3173
Echinococcus multilocularis histone deacetylase 0.0806 0.0684 0.0684
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.7044 1 1
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.7044 1 1
Trypanosoma brucei histone deacetylase, putative 0.0806 0.0684 0.0684
Brugia malayi histone deacetylase 3 (HD3) 0.0717 0.0552 0.0552
Onchocerca volvulus 0.0481 0.0199 0.5
Echinococcus granulosus histone deacetylase 1 0.0717 0.0552 0.0552
Leishmania major histone deacetylase, putative 0.0717 0.0552 0.0552
Echinococcus granulosus histone deacetylase 0.0806 0.0684 0.0684
Echinococcus multilocularis histone deacetylase 6 0.0856 0.0759 0.0759
Loa Loa (eye worm) hypothetical protein 0.0481 0.0199 0.0199
Echinococcus granulosus histone deacetylase 6 0.0856 0.0759 0.0759
Echinococcus granulosus histone deacetylase 6 0.0806 0.0684 0.0684

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.