Detailed information for compound 172009

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 504.509 | Formula: C26H33O8P
  • H donors: 0 H acceptors: 1 LogP: 5.31 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 2
  • SMILES: CO[C@@H]1OC2(C)CC[C@H]3C1(OO2)[C@@H](CCC3)CCOP(=O)(Oc1ccccc1)Oc1ccccc1
  • InChi: 1S/C26H33O8P/c1-25-18-16-20-10-9-11-21(26(20,34-33-25)24(28-2)30-25)17-19-29-35(27,31-22-12-5-3-6-13-22)32-23-14-7-4-8-15-23/h3-8,12-15,20-21,24H,9-11,16-19H2,1-2H3/t20-,21+,24+,25?,26?/m1/s1
  • InChiKey: ZXZAJJJYOSBQGV-DBXRGFHKSA-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
Mycobacterium tuberculosis Probable 3-isopropylmalate dehydrogenase LeuB (beta-IPM dehydrogenase) (IMDH) (3-IPM-DH) 0.0103 0.066 0.0834
Brugia malayi Intermediate filament tail domain containing protein 0.0111 0.0732 0.0926
Echinococcus granulosus intermediate filament protein 0.0111 0.0732 0.0732
Trypanosoma brucei RNA helicase, putative 0.0136 0.0981 0.124
Loa Loa (eye worm) hypothetical protein 0.0109 0.0712 0.0901
Brugia malayi Isocitrate dehydrogenase subunit gamma, mitochondrial precursor 0.0103 0.066 0.0835
Brugia malayi TAR-binding protein 0.0064 0.0276 0.0349
Brugia malayi beta-lactamase family protein 0.0035 0.0001 0.0001
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0851 0.7906 1
Echinococcus multilocularis isocitrate dehydrogenase (NAD+) 0.0103 0.066 0.066
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0225 0.1844 0.2332
Schistosoma mansoni hypothetical protein 0.0136 0.0981 0.124
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0072 0.0072
Loa Loa (eye worm) hypothetical protein 0.0111 0.0737 0.0933
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0851 0.7906 0.7906
Schistosoma mansoni hypothetical protein 0.0367 0.3217 0.4069
Brugia malayi beta-lactamase family protein 0.0035 0.0001 0.0001
Trichomonas vaginalis isocitrate dehydrogenase, putative 0.0103 0.066 1
Onchocerca volvulus 0.0156 0.1172 1
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0851 0.7906 1
Echinococcus multilocularis lamin dm0 0.0111 0.0732 0.0732
Echinococcus multilocularis geminin 0.0367 0.3217 0.3217
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0851 0.7906 1
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.0117 0.0148
Brugia malayi RNA binding protein 0.0064 0.0276 0.0349
Echinococcus granulosus lamin 0.0111 0.0732 0.0732
Echinococcus granulosus tar DNA binding protein 0.0064 0.0276 0.0276
Echinococcus granulosus isocitrate dehydrogenase NAD subunit 0.0103 0.066 0.066
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0072 0.0092
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0111 0.0737 0.0933
Schistosoma mansoni cellular tumor antigen P53 0.0156 0.1172 0.1483
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0851 0.7906 0.7906
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0001 0.0001
Loa Loa (eye worm) hypothetical protein 0.0053 0.0177 0.0224
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0001 0.0001
Entamoeba histolytica tartrate dehydrogenase, putative 0.0103 0.066 1
Schistosoma mansoni intermediate filament proteins 0.0111 0.0732 0.0926
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0851 0.7906 1
Onchocerca volvulus 0.0111 0.0732 0.6241
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0851 0.7906 1
Brugia malayi latrophilin 2 splice variant baaae 0.0076 0.0396 0.0501
Onchocerca volvulus 0.0047 0.0117 0.0992
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0072 0.0072
Echinococcus granulosus microtubule associated protein 2 0.071 0.6546 0.6546
Echinococcus multilocularis survival motor neuron protein 1 0.0232 0.1905 0.1905
Loa Loa (eye worm) hypothetical protein 0.0076 0.0396 0.0501
Loa Loa (eye worm) RNA binding protein 0.0064 0.0276 0.0349
Echinococcus multilocularis tar DNA binding protein 0.0064 0.0276 0.0276
Loa Loa (eye worm) hypothetical protein 0.0103 0.066 0.0835
Loa Loa (eye worm) hypothetical protein 0.0051 0.0157 0.0199
Loa Loa (eye worm) intermediate filament protein 0.0111 0.0732 0.0926
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0795 0.7362 0.7362
Echinococcus granulosus geminin 0.0367 0.3217 0.3217
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0851 0.7906 0.7906
Loa Loa (eye worm) hypothetical protein 0.0232 0.1905 0.241
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0851 0.7906 1
Toxoplasma gondii LsmAD domain-containing protein 0.0051 0.0154 0.0194
Schistosoma mansoni hypothetical protein 0.0047 0.0117 0.0148
Brugia malayi intermediate filament protein 0.0111 0.0732 0.0926
Loa Loa (eye worm) hypothetical protein 0.0051 0.0154 0.0195
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0001 0.0001
Mycobacterium leprae PROBABLE 3-ISOPROPYLMALATE DEHYDROGENASE LEUB (BETA-IPM DEHYDROGENASE) (IMDH) (3-IPM-DH) 0.0103 0.066 1
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0851 0.7906 0.7906
Loa Loa (eye worm) hypothetical protein 0.0051 0.0157 0.0199
Echinococcus multilocularis isocitrate dehydrogenase (NAD) subunit 0.0103 0.066 0.066
Loa Loa (eye worm) beta-lactamase 0.0035 0.0001 0.0001
Trypanosoma brucei PAB1-binding protein , putative 0.0051 0.0154 0.0194
Mycobacterium ulcerans 3-isopropylmalate dehydrogenase 0.0103 0.066 1
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0053 0.0177 0.0177
Loa Loa (eye worm) hypothetical protein 0.0035 0.0001 0.0001
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0001 0.0001
Loa Loa (eye worm) hypothetical protein 0.0111 0.0732 0.0926
Plasmodium vivax ataxin-2 like protein, putative 0.0051 0.0154 0.0194
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0276 0.0349
Brugia malayi isocitrate dehydrogenase [NAD] subunit beta, mitochondrial 0.0103 0.066 0.0835
Loa Loa (eye worm) hypothetical protein 0.0035 0.0001 0.0001
Brugia malayi isocitrate dehydrogenase 0.0851 0.7906 1
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0851 0.7906 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0001 0.0001
Brugia malayi hypothetical protein 0.0051 0.0154 0.0195
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0064 0.0276 0.0349
Echinococcus multilocularis isocitrate dehydrogenase 0.0851 0.7906 0.7906
Brugia malayi beta-lactamase 0.0035 0.0001 0.0001
Schistosoma mansoni unc-13 (munc13) 0.0103 0.066 0.0835
Leishmania major hypothetical protein, conserved 0.0051 0.0154 0.0194
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0851 0.7906 0.7906
Wolbachia endosymbiont of Brugia malayi isocitrate dehydrogenase 0.0103 0.066 0.5
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0851 0.7906 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0001 0.0001
Brugia malayi hypothetical protein 0.0232 0.1905 0.241
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0276 0.0349
Loa Loa (eye worm) hypothetical protein 0.0035 0.0001 0.0001
Brugia malayi Isocitrate dehydrogenase 0.0851 0.7906 1
Echinococcus granulosus isocitrate dehydrogenase NAD 0.0103 0.066 0.066
Brugia malayi isocitrate dehydrogenase [NAD] subunit alpha, mitochondrial 0.0103 0.066 0.0835
Trypanosoma cruzi PAB1-binding protein , putative 0.0051 0.0154 0.0194
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0851 0.7906 1
Schistosoma mansoni lamin 0.0111 0.0732 0.0926
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0111 0.0732 0.0926
Echinococcus granulosus lamin dm0 0.0111 0.0732 0.0732
Trypanosoma cruzi PAB1-binding protein , putative 0.0051 0.0154 0.0194
Brugia malayi cytoplasmic intermediate filament protein 0.0059 0.0234 0.0296
Echinococcus multilocularis tumor protein p63 0.1067 1 1
Schistosoma mansoni isocitrate dehydrogenase 0.0103 0.066 0.0835
Echinococcus multilocularis lamin 0.0111 0.0732 0.0732
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0053 0.0177 0.0177
Echinococcus multilocularis microtubule associated protein 2 0.071 0.6546 0.6546
Schistosoma mansoni Isocitrate dehydrogenase [NAD] subunit gamma mitochondrial 0.0103 0.066 0.0835
Brugia malayi hypothetical protein 0.0043 0.0072 0.0092
Onchocerca volvulus 0.0111 0.0732 0.6241
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0111 0.0737 0.0933
Toxoplasma gondii isocitrate dehydrogenase 0.0851 0.7906 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0001 0.0001
Loa Loa (eye worm) isocitrate dehydrogenase 0.0851 0.7906 1
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0059 0.0234 0.0296
Brugia malayi Probable isocitrate dehydrogenase 0.0103 0.066 0.0835
Loa Loa (eye worm) hypothetical protein 0.0156 0.1172 0.1483
Brugia malayi Probable isocitrate dehydrogenase 0.0103 0.066 0.0835
Loa Loa (eye worm) isocitrate dehydrogenase gamma subunit 0.0103 0.066 0.0835
Schistosoma mansoni survival motor neuron protein 0.0047 0.0117 0.0148
Toxoplasma gondii isocitrate dehydrogenase 0.0851 0.7906 1
Loa Loa (eye worm) TAR-binding protein 0.0064 0.0276 0.0349
Brugia malayi RNA recognition motif domain containing protein 0.0064 0.0276 0.0349
Brugia malayi Calcitonin receptor-like protein seb-1 0.0111 0.0737 0.0933
Echinococcus multilocularis musashi 0.0111 0.0732 0.0732
Schistosoma mansoni microtubule-associated protein tau 0.071 0.6546 0.8279
Loa Loa (eye worm) hypothetical protein 0.0035 0.0001 0.0001
Schistosoma mansoni hypothetical protein 0.0076 0.0396 0.0501
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0276 0.0349
Schistosoma mansoni lamin 0.0111 0.0732 0.0926
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0276 0.0349
Echinococcus granulosus survival motor neuron protein 1 0.0232 0.1905 0.1905
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0276 0.0349
Leishmania major isocitrate dehydrogenase, putative 0.0103 0.066 0.0834
Schistosoma mansoni hypothetical protein 0.0367 0.3217 0.4069
Loa Loa (eye worm) hypothetical protein 0.0035 0.0001 0.0001
Schistosoma mansoni hypothetical protein 0.0043 0.0072 0.0092

Activities

Activity type Activity value Assay description Source Reference
Log RA (functional) = 1.1 Antimalarial activity of the compound was determined against chloroquine-resistant, mefloquine-sensitive Plasmodium falciparum W-2 clone ChEMBL. 11784134

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

1 literature reference was collected for this gene.

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