Detailed information for compound 29977

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 320.337 | Formula: C17H20O6
  • H donors: 1 H acceptors: 3 LogP: 1.29 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1O[C@H]2C34[C@]1(O)CC([C@H]3C[C@H]1C34[C@](O2)(CCC3)C(=O)O1)(C)C
  • InChi: 1S/C17H20O6/c1-13(2)7-15(20)10(18)22-12-17(15)8(13)6-9-14(17)4-3-5-16(14,23-12)11(19)21-9/h8-9,12,20H,3-7H2,1-2H3/t8-,9+,12-,14?,15-,16+,17?/m0/s1
  • InChiKey: RMDHWCAIYRBVNJ-AZOUFKPVSA-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
Trypanosoma brucei hypothetical protein, conserved 0.0093 0.0245 0.0413
Mycobacterium ulcerans penicillin-binding lipoprotein 0.1293 0.5482 1
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.0267 0.1002 0.6802
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.036 0.141 1
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0371 0.1459 0.1459
Leishmania major protein farnesyltransferase alpha subunit, putative 0.0093 0.0245 0.0413
Schistosoma mansoni carbonic anhydrase-related 0.0371 0.1459 0.1459
Mycobacterium ulcerans penicillin-binding protein PbpA 0.0876 0.366 0.6348
Trichomonas vaginalis conserved hypothetical protein 0.015 0.0492 0.2805
Chlamydia trachomatis transglycolase/transpeptidase 0.1311 0.556 1
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0678 0.2798 1
Echinococcus granulosus protein prenyltransferase alpha subunit 0.0093 0.0245 0.0245
Plasmodium vivax prenyltransferase alpha subunit, putative 0.036 0.141 1
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0371 0.1459 0.1459
Entamoeba histolytica geranylgeranyl transferase beta subunit 0.0196 0.0695 0.4927
Echinococcus multilocularis Rab geranylgeranyltransferase, beta subunit 0.0068 0.0135 0.0135
Echinococcus granulosus carbonic anhydrase II 0.0678 0.2798 0.2798
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0678 0.2798 0.2767
Onchocerca volvulus 0.0093 0.0245 0.5
Loa Loa (eye worm) hypothetical protein 0.0068 0.0135 0.0093
Loa Loa (eye worm) hypothetical protein 0.0068 0.0135 0.0093
Mycobacterium tuberculosis Possible penicillin-binding lipoprotein 0.1293 0.5482 1
Echinococcus multilocularis geranylgeranyl transferase type 2 subunit alpha 0.0093 0.0245 0.0245
Echinococcus multilocularis geranylgeranyl transferase type I beta subunit 0.0196 0.0695 0.0695
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0093 0.0245 0.0864
Trypanosoma brucei protein farnesyltransferase beta subunit 0.019 0.0665 0.199
Trypanosoma cruzi protein farnesyltransferase, putative 0.019 0.0665 0.199
Trypanosoma cruzi protein farnesyltransferase alpha subunit, putative 0.0093 0.0245 0.0413
Wolbachia endosymbiont of Brugia malayi cell division protein FtsI 0.1311 0.556 0.5
Echinococcus multilocularis carbonic anhydrase 0.0371 0.1459 0.1459
Echinococcus granulosus indoleamine 23 dioxygenase 2 0.2328 1 1
Plasmodium vivax conserved Plasmodium protein, unknown function 0.0121 0.0367 0.1823
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0371 0.1459 0.1422
Plasmodium falciparum geranylgeranyl transferase type-2 subunit alpha, putative 0.0093 0.0245 0.0832
Plasmodium vivax farnesyltransferase beta subunit, putative 0.019 0.0665 0.4157
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.036 0.141 0.1373
Schistosoma mansoni hypothetical protein 0.2328 1 1
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0678 0.2798 0.2798
Echinococcus granulosus protein farnesyltransferase subunit beta 0.019 0.0665 0.0665
Plasmodium falciparum protein farnesyltransferase subunit alpha 0.036 0.141 0.9631
Trypanosoma brucei Protein prenyltransferase alpha subunit repeat, putative 0.0093 0.0245 0.0413
Brugia malayi Probable protein farnesyltransferase beta subunit, putative 0.0068 0.0135 0.0135
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.036 0.141 1
Giardia lamblia Rab geranylgeranyltransferase 0.0093 0.0245 0.0864
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.0093 0.0245 0.0203
Schistosoma mansoni protein farnesyltransferase alpha subunit 0.036 0.141 0.141
Echinococcus granulosus geranylgeranyl transferase type 2 subunit alpha 0.0093 0.0245 0.0245
Entamoeba histolytica Rab geranylgeranyltransferase alpha subunit, putative 0.0093 0.0245 0.1737
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0047 0.0043 0.0043
Echinococcus granulosus protein farnesyltransferase alpha subunit 0.036 0.141 0.141
Trichomonas vaginalis geranylgeranyl transferase type beta subunit, putative 0.019 0.0665 0.4157
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0371 0.1459 0.1459
Trichomonas vaginalis type I geranylgeranyltransferase beta subunit, putative 0.019 0.0665 0.4157
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0678 0.2798 0.2798
Loa Loa (eye worm) hypothetical protein 0.0371 0.1459 0.1422
Brugia malayi Protein prenyltransferase alpha subunit repeat containing protein 0.0093 0.0245 0.0245
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0678 0.2798 0.2798
Leishmania major carbonic anhydrase-like protein 0.0678 0.2798 1
Echinococcus multilocularis protein prenyltransferase alpha subunit 0.0093 0.0245 0.0245
Echinococcus granulosus carbonic anhydrase 0.0371 0.1459 0.1459
Loa Loa (eye worm) hypothetical protein 0.036 0.141 0.1373
Giardia lamblia Prenyltransferase 0.019 0.0665 0.4157
Trypanosoma brucei carbonic anhydrase-like protein 0.0678 0.2798 1
Brugia malayi Prenyltransferase and squalene oxidase repeat family protein 0.019 0.0665 0.0665
Schistosoma mansoni protein farnesyltransferase subunit beta 0.019 0.0665 0.0665
Schistosoma mansoni carbonic anhydrase-related 0.0371 0.1459 0.1459
Treponema pallidum penicillin-binding protein (pbp-3) 0.0585 0.2393 0.375
Trichomonas vaginalis geranylgeranyl transferase type I beta subunit, putative 0.019 0.0665 0.4157
Echinococcus granulosus carbonic anhydrase 0.0371 0.1459 0.1459
Echinococcus multilocularis indoleamine 2,3 dioxygenase 2 0.2328 1 1
Schistosoma mansoni hypothetical protein 0.0371 0.1459 0.1459
Trypanosoma cruzi protein farnesyltransferase alpha subunit, putative 0.0093 0.0245 0.0413
Schistosoma mansoni carbonic anhydrase-related 0.0371 0.1459 0.1459
Leishmania major farnesyltransferase beta subunit 0.019 0.0665 0.199
Loa Loa (eye worm) prenyltransferase and squalene oxidase repeat family protein 0.019 0.0665 0.0625
Toxoplasma gondii hypothetical protein 0.0267 0.1002 0.6551
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.036 0.141 1
Loa Loa (eye worm) carbonic anhydrase 3 0.0678 0.2798 0.2767
Echinococcus multilocularis carbonic anhydrase II 0.0678 0.2798 0.2798
Toxoplasma gondii prenyltransferase and squalene oxidase repeat-containing protein 0.019 0.0665 0.4004
Brugia malayi Calcitonin receptor-like protein seb-1 0.0047 0.0043 0.0043
Echinococcus multilocularis carbonic anhydrase 0.0371 0.1459 0.1459
Trypanosoma cruzi hypothetical protein, conserved 0.0093 0.0245 0.0413
Loa Loa (eye worm) hypothetical protein 0.0371 0.1459 0.1422
Trypanosoma brucei protein farnesyltransferase alpha subunit, putative 0.0093 0.0245 0.0413
Mycobacterium tuberculosis Probable bifunctional membrane-associated penicillin-binding protein 1A/1B PonA2 (murein polymerase) [includes: penicillin-insen 0.015 0.0492 0.0669
Mycobacterium leprae POSSIBLE PENICILLIN-BINDING LIPOPROTEIN 0.1293 0.5482 1
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0678 0.2798 0.2798
Echinococcus multilocularis protein farnesyltransferase alpha subunit 0.036 0.141 0.141
Loa Loa (eye worm) indoleamine 2,3-dioxygenase 0.2328 1 1
Brugia malayi Prenyltransferase and squalene oxidase repeat family protein 0.0196 0.0695 0.0695
Echinococcus granulosus carbonic anhydrase 0.0371 0.1459 0.1459
Trypanosoma brucei Protein prenyltransferase alpha subunit repeat, putative 0.0093 0.0245 0.0413
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.019 0.0665 0.4157
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0678 0.2798 1
Plasmodium vivax protein prenyltransferase alpha subunit, putative 0.0093 0.0245 0.0864
Echinococcus multilocularis carbonic anhydrase 0.0371 0.1459 0.1459
Treponema pallidum penicillin-binding protein (pbp-1) 0.1311 0.556 1
Giardia lamblia Rab geranylgeranyltransferase 0.036 0.141 1
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.019 0.0665 0.4157
Schistosoma mansoni geranylgeranyl transferase type I beta subunit 0.0196 0.0695 0.0695
Toxoplasma gondii hypothetical protein 0.0093 0.0245 0.0832
Mycobacterium tuberculosis Probable penicillin-binding protein PbpA 0.0876 0.366 0.6592
Loa Loa (eye worm) hypothetical protein 0.0371 0.1459 0.1422
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0371 0.1459 0.1459
Loa Loa (eye worm) prenyltransferase and squalene oxidase repeat family protein 0.0196 0.0695 0.0655
Plasmodium falciparum protein farnesyltransferase subunit beta 0.019 0.0665 0.4004
Plasmodium falciparum carbonic anhydrase 0.0371 0.1459 1
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0093 0.0245 0.0245
Trypanosoma cruzi hypothetical protein, conserved 0.0093 0.0245 0.0413
Entamoeba histolytica Rab geranylgeranyltransferase beta subunit, putative 0.0068 0.0135 0.0956
Mycobacterium ulcerans penicillin-binding membrane protein PbpB 0.0585 0.2393 0.3809
Entamoeba histolytica protein farnesyltransferase beta subunit, putative 0.019 0.0665 0.4716
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.019 0.0665 0.4157
Toxoplasma gondii hypothetical protein 0.0371 0.1459 1
Trypanosoma cruzi protein farnesyltransferase, putative 0.019 0.0665 0.199
Schistosoma mansoni carbonic anhydrase 0.0371 0.1459 0.1459
Entamoeba histolytica protein farnesyltransferase alpha subunit, putative 0.036 0.141 1
Echinococcus multilocularis protein farnesyltransferase subunit beta 0.019 0.0665 0.0665
Brugia malayi Protein prenyltransferase alpha subunit repeat containing protein 0.036 0.141 0.141
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0765 0.3179 0.3179
Schistosoma mansoni geranylgeranyl transferase type I beta subunit 0.0196 0.0695 0.0695
Trypanosoma cruzi Protein prenyltransferase alpha subunit repeat, putative 0.0093 0.0245 0.0413
Schistosoma mansoni geranylgeranyl transferase type II beta subunit 0.0068 0.0135 0.0135
Trichomonas vaginalis geranylgeranyl transferase type I beta subunit, putative 0.0196 0.0695 0.4391
Schistosoma mansoni hypothetical protein 0.2328 1 1
Echinococcus granulosus geranylgeranyl transferase type I beta subunit 0.0196 0.0695 0.0695
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0371 0.1459 0.1459
Mycobacterium leprae Probable penicillin-binding protein PbpA 0.0876 0.366 0.6348

Activities

Activity type Activity value Assay description Source Reference
Binding affinity (binding) = 5.04 uM Compound was evaluated for anti-platelet activating factor potency ChEMBL. 9871752
Binding affinity (binding) = 9.2 uM Binding affinity against platelet activating factor ChEMBL. 9871752

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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