Detailed information for compound 1166389

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 248.299 | Formula: C9H16N2O4S
  • H donors: 4 H acceptors: 3 LogP: -2.26 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC[C@H]1O[C@]2(CN)SC(=N[C@@H]2[C@H]([C@H]1O)O)C
  • InChi: 1S/C9H16N2O4S/c1-4-11-8-7(14)6(13)5(2-12)15-9(8,3-10)16-4/h5-8,12-14H,2-3,10H2,1H3/t5-,6+,7+,8-,9-/m1/s1
  • InChiKey: UYTGIRHCGLWEML-QMGXLNLGSA-N  


Substructure search Similarity search

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
Onchocerca volvulus 0.007 0.1153 1
Echinococcus multilocularis tumor protein p63 0.0358 0.7846 1
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 0.0148 0.2951 0.2951
Leishmania major cytochrome p450-like protein 0.0044 0.0525 0.3998
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.0037 0.0367 0.2489
Brugia malayi hypothetical protein 0.0026 0.0109 0.0214
Toxoplasma gondii ABC1 family protein 0.007 0.1153 1
Echinococcus granulosus geminin 0.0335 0.7306 0.9313
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.0037 0.0367 0.2489
Trypanosoma cruzi cytochrome P450, putative 0.0044 0.0525 0.3998
Echinococcus multilocularis 0.0026 0.0106 0.0135
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0026 0.0106 0.0106
Entamoeba histolytica hypothetical protein 0.0037 0.0379 0.5
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0044 0.0525 0.1777
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0026 0.0106 0.0106
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0095 0.1725 0.2199
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0109 0.2984
Mycobacterium ulcerans esterase/lipase LipP 0.007 0.1153 0.3906
Trypanosoma brucei hypothetical protein, conserved 0.007 0.1153 1
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0026 0.0106 0.0106
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0095 0.1725 0.2199
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0026 0.0106 0.0106
Mycobacterium ulcerans cytochrome P450 144A4 Cyp144A4 0.0026 0.0106 0.036
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0026 0.0106 0.0106
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.0379 0.0484
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0026 0.0106 0.0106
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0026 0.0106 0.0106
Wolbachia endosymbiont of Brugia malayi acetylornithine transaminase protein 0.0021 0 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.007 0.1153 1
Mycobacterium ulcerans cytochrome P450 105Q4 Cyp105Q4 0.0026 0.0106 0.036
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0026 0.0106 0.0106
Mycobacterium leprae putative cytochrome p450 0.0026 0.0106 0.036
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0026 0.0106 0.0106
Loa Loa (eye worm) cytochrome P450 family protein 0.0044 0.0525 0.0838
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.007 0.1153 0.3906
Mycobacterium ulcerans cytochrome P450 188A3 Cyp188A3 0.0026 0.0106 0.036
Brugia malayi beta-lactamase family protein 0.007 0.1153 0.2259
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.0109 0.0031
Mycobacterium tuberculosis Conserved protein 0.007 0.1153 0.1153
Schistosoma mansoni cellular tumor antigen P53 0.0052 0.0731 0.1
Entamoeba histolytica hypothetical protein 0.0037 0.0379 0.5
Leishmania major hypothetical protein, conserved 0.007 0.1153 1
Mycobacterium ulcerans cytochrome P450 125A7 Cyp125A7 0.0026 0.0106 0.036
Loa Loa (eye worm) hypothetical protein 0.007 0.1153 0.2095
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0095 0.1725 0.2199
Mycobacterium ulcerans beta-lactamase 0.007 0.1153 0.3906
Mycobacterium ulcerans cytochrome P450 123A3 Cyp123A3 0.0026 0.0106 0.036
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0026 0.0106 0.0106
Mycobacterium ulcerans cytochrome P450 124A1, Cyp124A1 0.0026 0.0106 0.036
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.007 0.1153 0.1578
Mycobacterium tuberculosis Conserved protein 0.007 0.1153 0.1153
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0095 0.1725 0.2361
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.007 0.1153 0.1578
Loa Loa (eye worm) transcription factor SMAD2 0.0123 0.2381 0.4553
Mycobacterium tuberculosis Probable esterase LipL 0.007 0.1153 0.1153
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0026 0.0106 0.0106
Mycobacterium ulcerans cytochrome P450 143A4 Cyp143A4 0.0026 0.0106 0.036
Schistosoma mansoni hypothetical protein 0.0026 0.0106 0.0145
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.007 0.1153 0.2259
Brugia malayi MH2 domain containing protein 0.0123 0.2381 0.4666
Echinococcus multilocularis beta LACTamase domain containing family member 0.007 0.1153 0.1469
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0095 0.1725 0.3382
Loa Loa (eye worm) hypothetical protein 0.0026 0.0109 0.0006
Mycobacterium ulcerans lipase LipD 0.007 0.1153 0.3906
Mycobacterium ulcerans cytochrome P450 140A5 Cyp140A5 0.0026 0.0106 0.036
Mycobacterium leprae Conserved hypothetical protein 0.0026 0.0106 0.036
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0095 0.1725 0.2361
Mycobacterium ulcerans cytochrome P450 108B4 Cyp108B4 0.0026 0.0106 0.036
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0026 0.0106 0.0106
Mycobacterium ulcerans cytochrome P450 150A6 Cyp150A6 0.0026 0.0106 0.036
Mycobacterium leprae PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA 0.0148 0.2951 1
Toxoplasma gondii cytochrome p450 superfamily protein 0.0026 0.0106 0.0921
Brugia malayi Cytochrome P450 family protein 0.0044 0.0525 0.1028
Loa Loa (eye worm) hypothetical protein 0.007 0.1153 0.2095
Chlamydia trachomatis glutamate-1-semialdehyde-2,1-aminomutase 0.0021 0 0.5
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase 0.0148 0.2951 1
Leishmania major hypothetical protein, conserved 0.0037 0.0367 0.2489
Mycobacterium ulcerans cytochrome P450 136A2 Cyp136A2 0.0026 0.0106 0.036
Trichomonas vaginalis acetylornithine aminotransferase, putative 0.0148 0.2951 1
Trypanosoma brucei ERV/ALR sulfhydryl oxidase domain-containing protein 0.0037 0.0367 0.2489
Mycobacterium ulcerans hypothetical protein 0.007 0.1153 0.3906
Trypanosoma cruzi ERV/ALR sulfhydryl oxidase domain-containing protein 0.0037 0.0367 0.2489
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0109 0.0031
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0095 0.1725 0.3241
Mycobacterium leprae conserved hypothetical protein 0.007 0.1153 0.3906
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0026 0.0106 0.0106
Loa Loa (eye worm) hypothetical protein 0.007 0.1153 0.2095
Echinococcus multilocularis geminin 0.0335 0.7306 0.9313
Schistosoma mansoni hypothetical protein 0.0335 0.7306 1
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0026 0.0106 0.0106
Brugia malayi Cytochrome P450 family protein 0.0026 0.0106 0.0208
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0026 0.0106 0.0106
Mycobacterium ulcerans hypothetical protein 0.0148 0.2951 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0044 0.0525 0.0838
Schistosoma mansoni cytochrome P450 0.0026 0.0106 0.0145
Loa Loa (eye worm) hypothetical protein 0.007 0.1153 0.2095
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.007 0.1153 0.2095
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.0379 0.0484
Mycobacterium ulcerans cytochrome P450 189A7 Cyp189A7 0.0026 0.0106 0.036
Mycobacterium ulcerans cytochrome P450 142A3 Cyp142A3 0.0026 0.0106 0.036
Toxoplasma gondii Erv1 / Alr family protein 0.0037 0.0367 0.3181
Toxoplasma gondii Erv1 / Alr family protein 0.0037 0.0367 0.3181
Mycobacterium ulcerans cytochrome P450 51B1 Cyp51B1 0.0026 0.0106 0.036
Loa Loa (eye worm) hepatopoietin HPO2 0.0037 0.0367 0.0521
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0109 0.2984
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.0379 0.0519
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0026 0.0106 0.0106
Trypanosoma cruzi cytochrome P450, putative 0.0044 0.0525 0.3998
Brugia malayi follicle stimulating hormone receptor 0.024 0.5102 1
Mycobacterium ulcerans cytochrome P450 126A3 Cyp126A3 0.0026 0.0106 0.036
Brugia malayi beta-lactamase 0.007 0.1153 0.2259
Loa Loa (eye worm) hypothetical protein 0.007 0.1153 0.2095
Schistosoma mansoni hypothetical protein 0.0335 0.7306 1
Echinococcus granulosus cytochrome P450 2K1 0.0026 0.0106 0.0135
Toxoplasma gondii LsmAD domain-containing protein 0.0026 0.0109 0.0949
Mycobacterium ulcerans cytochrome P450 187A5 Cyp187A5 0.0026 0.0106 0.036
Brugia malayi cytochrome P450 0.0026 0.0106 0.0208
Mycobacterium tuberculosis Probable lipase LipD 0.007 0.1153 0.1153
Loa Loa (eye worm) CYP4Cod1 0.0044 0.0525 0.0838
Schistosoma mansoni hypothetical protein 0.0037 0.0379 0.0519
Onchocerca volvulus 0.007 0.1153 1
Mycobacterium tuberculosis Probable hydrolase 0.007 0.1153 0.1153
Onchocerca volvulus 0.007 0.1153 1
Brugia malayi beta-lactamase family protein 0.007 0.1153 0.2259
Plasmodium falciparum FAD-linked sulfhydryl oxidase ERV1, putative 0.0037 0.0367 1
Entamoeba histolytica hypothetical protein 0.0037 0.0379 0.5
Plasmodium vivax hypothetical protein, conserved 0.007 0.1153 1
Mycobacterium ulcerans cytochrome P450 187A4 Cyp187A4 0.0026 0.0106 0.036
Loa Loa (eye worm) beta-lactamase 0.007 0.1153 0.2095
Mycobacterium tuberculosis Probable conserved lipoprotein 0.007 0.1153 0.1153
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.007 0.1153 0.1153
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.007 0.1153 0.1153
Trypanosoma brucei cytochrome P450, putative 0.0044 0.0525 0.3998
Mycobacterium tuberculosis Probable aminotransferase 0.0148 0.2951 0.2951
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0026 0.0106 0.0106
Brugia malayi Cytochrome P450 family protein 0.0044 0.0525 0.1028
Echinococcus granulosus FAD linked sulfhydryl oxidase ALR 0.0037 0.0367 0.0467
Mycobacterium tuberculosis Conserved protein 0.007 0.1153 0.1153
Loa Loa (eye worm) MH2 domain-containing protein 0.0123 0.2381 0.4553
Mycobacterium tuberculosis Probable lipase LipE 0.007 0.1153 0.1153
Entamoeba histolytica hypothetical protein 0.0037 0.0379 0.5
Echinococcus granulosus beta LACTamase domain containing family member 0.007 0.1153 0.1469
Mycobacterium ulcerans cytochrome P450 143A3 Cyp143A3 0.0026 0.0106 0.036
Loa Loa (eye worm) follicle stimulating hormone receptor 0.024 0.5102 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0104 0.1929 0.3648
Mycobacterium ulcerans cytochrome p450 150 cyp150 0.0026 0.0106 0.036
Leishmania major hypothetical protein, conserved 0.0026 0.0109 0.0031
Loa Loa (eye worm) hypothetical protein 0.0052 0.0731 0.125
Brugia malayi Cytochrome P450 family protein 0.0104 0.1929 0.378
Mycobacterium ulcerans cytochrome P450 191A3 Cyp191A3 0.0026 0.0106 0.036
Brugia malayi hypothetical protein 0.0037 0.0379 0.0744
Echinococcus granulosus tumor protein p63 0.0358 0.7846 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0095 0.1725 0.2199
Mycobacterium leprae Probable lipase LipE 0.007 0.1153 0.3906
Trypanosoma cruzi hypothetical protein, conserved 0.007 0.1153 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0109 0.0031
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0026 0.0106 0.0106
Loa Loa (eye worm) hypothetical protein 0.007 0.1153 0.2095
Brugia malayi Augmenter of liver regeneration 0.0037 0.0367 0.0719
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0026 0.0106 0.0106
Plasmodium vivax FAD-linked sulfhydryl oxidase ERV1, putative 0.0037 0.0367 0.3181
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0.0109 0.0949
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0026 0.0106 0.0106
Echinococcus multilocularis FAD linked sulfhydryl oxidase ALR 0.0037 0.0367 0.0467
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0095 0.1725 0.2361

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.

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