Detailed information for compound 932143

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 464.572 | Formula: C24H32O7S
  • H donors: 0 H acceptors: 3 LogP: 3.18 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)COC[C@H]1O[C@H]2[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)CSc1c2cc(cc1)C(C)(C)C
  • InChi: 1S/C24H32O7S/c1-13(25)10-28-11-19-23(30-15(3)27)22(29-14(2)26)18-12-32-20-8-7-16(24(4,5)6)9-17(20)21(18)31-19/h7-9,18-19,21-23H,10-12H2,1-6H3/t18-,19+,21+,22+,23+/m0/s1
  • InChiKey: OLCRGFPRNSUYQK-PBLZTVTNSA-N  

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
Echinococcus granulosus glutamyl tRNAGln amidotransferase subunit A 0.009 0.0177 0.0744
Plasmodium vivax PST-A protein 0.058 0.1823 1
Mycobacterium ulcerans peptide amidase, GatA 0.009 0.0177 0.0177
Mycobacterium leprae POSSIBLE LYSOPHOSPHOLIPASE 0.0617 0.1948 1
Leishmania major hypothetical protein, conserved 0.009 0.0177 0.0969
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.058 0.1823 0.5
Echinococcus multilocularis glutamyl tRNA(Gln) amidotransferase subunit A 0.009 0.0177 0.0744
Mycobacterium ulcerans 2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoate hydrolase BphD 0.3015 1 1
Loa Loa (eye worm) hypothetical protein 0.0101 0.0214 0.0903
Brugia malayi Amidase family protein 0.009 0.0177 0.0744
Giardia lamblia Hypothetical protein 0.0037 0 0.5
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.058 0.1823 1
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.058 0.1823 0.5
Trypanosoma brucei monoglyceride lipase, putative 0.058 0.1823 1
Mycobacterium ulcerans amidase 0.009 0.0177 0.0177
Trypanosoma cruzi amidase, putative 0.009 0.0177 0.0969
Mycobacterium ulcerans amidase 0.009 0.0177 0.0177
Schistosoma mansoni neuropathy target esterase/swiss cheese-related protein 0.0093 0.0189 0.0795
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0744 0.2373 1
Toxoplasma gondii hydrolase, alpha/beta fold family protein 0.0037 0 0.5
Treponema pallidum aspartyl/glutamyl-tRNA amidotransferase subunit A 0.009 0.0177 1
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.058 0.1823 1
Mycobacterium ulcerans aspartyl/glutamyl-tRNA amidotransferase subunit A 0.009 0.0177 0.0177
Brugia malayi putative amidase 0.009 0.0177 0.0744
Trypanosoma cruzi amidase, putative 0.009 0.0177 0.0969
Echinococcus granulosus fatty acid amide hydrolase 1 0.009 0.0177 0.0744
Giardia lamblia Hypothetical protein 0.0037 0 0.5
Trypanosoma brucei fatty-acid amide hydrolase, putative 0.009 0.0177 0.0969
Plasmodium falciparum lysophospholipase, putative 0.058 0.1823 1
Leishmania major monoglyceride lipase, putative 0.058 0.1823 1
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.058 0.1823 1
Mycobacterium ulcerans lysophospholipase 0.058 0.1823 0.1823
Toxoplasma gondii hypothetical protein 0.0037 0 0.5
Wolbachia endosymbiont of Brugia malayi aspartyl/glutamyl-tRNA amidotransferase subunit A 0.009 0.0177 0.5
Brugia malayi Hypothetical UPF0028 protein ZK370.4 in chromosome III, putative 0.0101 0.0214 0.0903
Toxoplasma gondii hypothetical protein 0.0037 0 0.5
Plasmodium falciparum esterase, putative 0.058 0.1823 1
Toxoplasma gondii chain a, pp2a-specific methylesterase apo form (pme), putative 0.0037 0 0.5
Mycobacterium tuberculosis Probable amidase AmiB2 (aminohydrolase) 0.009 0.0177 0.0177
Mycobacterium leprae PROBABLE GLUTAMYL-TRNA(GLN) AMIDOTRANSFERASE (SUBUNIT A) GATA (Glu-ADT SUBUNIT A) 0.009 0.0177 0.0907
Giardia lamblia Hypothetical protein 0.0037 0 0.5
Mycobacterium ulcerans amidase 0.009 0.0177 0.0177
Schistosoma mansoni amidase 0.0744 0.2373 1
Echinococcus granulosus patatin phospholipase domain containing protein 0.0101 0.0214 0.0903
Schistosoma mansoni fatty-acid amide hydrolase 0.009 0.0177 0.0744
Echinococcus multilocularis patatin phospholipase domain containing protein 0.0101 0.0214 0.0903
Plasmodium falciparum lysophospholipase, putative 0.058 0.1823 1
Mycobacterium tuberculosis Possible amidase (aminohydrolase) 0.009 0.0177 0.0177
Brugia malayi Amidase family protein 0.009 0.0177 0.0744
Loa Loa (eye worm) amidase 0.009 0.0177 0.0744
Giardia lamblia Protein phosphatase methylesterase-1 0.0037 0 0.5
Onchocerca volvulus 0.0101 0.0214 1
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.058 0.1823 1
Loa Loa (eye worm) hypothetical protein 0.0744 0.2373 1
Schistosoma mansoni glutamyl-tRNA(Gln) amidotransferase subunit A 0.009 0.0177 0.0744
Echinococcus granulosus fatty acid amide hydrolase 1 0.0744 0.2373 1
Echinococcus granulosus fatty acid amide hydrolase 1 0.0744 0.2373 1
Schistosoma mansoni fatty-acid amide hydrolase 0.0744 0.2373 1
Mycobacterium tuberculosis Probable amidase AmiC (aminohydrolase) 0.009 0.0177 0.0177
Mycobacterium leprae PROBABLE AMIDASE AMIC (AMINOHYDROLASE) 0.009 0.0177 0.0907
Trichomonas vaginalis conserved hypothetical protein 0.058 0.1823 1
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0744 0.2373 1
Chlamydia trachomatis glutamyl-tRNA(Gln) amidotransferase subunit A 0.009 0.0177 0.5
Trypanosoma brucei monoglyceride lipase, putative 0.058 0.1823 1
Trichomonas vaginalis conserved hypothetical protein 0.058 0.1823 1
Brugia malayi amidase 0.0744 0.2373 1
Plasmodium falciparum lysophospholipase, putative 0.058 0.1823 1
Mycobacterium ulcerans hypothetical protein 0.058 0.1823 0.1823
Loa Loa (eye worm) amidase 0.009 0.0177 0.0744
Echinococcus multilocularis fatty acid amide hydrolase 1 0.009 0.0177 0.0744
Toxoplasma gondii hydrolase, alpha/beta fold family protein 0.0037 0 0.5
Mycobacterium tuberculosis Conserved protein 0.0101 0.0214 0.0214
Mycobacterium tuberculosis Probable amidase AmiA2 (aminohydrolase) 0.009 0.0177 0.0177
Mycobacterium ulcerans amidase 0.009 0.0177 0.0177
Mycobacterium tuberculosis Probable amidase AmiD (acylamidase) (acylase) 0.009 0.0177 0.0177
Schistosoma mansoni neuropathy target esterase/swiss cheese-related protein 0.0093 0.0189 0.0795
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.058 0.1823 1
Treponema pallidum hypothetical protein 0.0087 0.0168 0.9528
Giardia lamblia ENC6 protein 0.0037 0 0.5
Mycobacterium ulcerans amidase 0.009 0.0177 0.0177
Mycobacterium tuberculosis Possible lysophospholipase 0.0617 0.1948 0.1948
Trypanosoma cruzi monoglyceride lipase, putative 0.058 0.1823 1
Toxoplasma gondii hypothetical protein 0.0037 0 0.5
Trichomonas vaginalis valacyclovir hydrolase, putative 0.058 0.1823 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 100 uM Antimalarial activity against Plasmodium falciparum FCR3 after 48 hrs by parasite lactate dehydrogenase assay ChEMBL. 25255435

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.