Detailed information for compound 955650

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 296.36 | Formula: C19H20O3
  • H donors: 2 H acceptors: 2 LogP: 4.13 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1ccc(cc1)CC[C@H]1CC=C[C@H](O1)c1ccc(cc1)O
  • InChi: 1S/C19H20O3/c20-16-9-4-14(5-10-16)6-13-18-2-1-3-19(22-18)15-7-11-17(21)12-8-15/h1,3-5,7-12,18-21H,2,6,13H2/t18-,19+/m1/s1
  • InChiKey: WNMSDVNIAXMQRI-MOPGFXCFSA-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
Loa Loa (eye worm) hypothetical protein 0.0046 0.0276 0.0276
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0054 0.0654 0.0654
Mycobacterium ulcerans carboxylesterase, LipT 0.0046 0.0276 1
Mycobacterium leprae Probable lipase LipE 0.0039 0 0.5
Trypanosoma cruzi cytochrome c, putative 0.01 0.2631 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0251 0.9166 1
Onchocerca volvulus 0.0046 0.0276 0.0488
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0046 0.0276 1
Trypanosoma brucei cytochrome c 0.01 0.2631 1
Loa Loa (eye worm) hypothetical protein 0.0046 0.0276 0.0276
Loa Loa (eye worm) hypothetical protein 0.0046 0.0276 0.0276
Schistosoma mansoni hypothetical protein 0.0041 0.0052 0.0052
Echinococcus multilocularis carboxylesterase 5A 0.0271 1 1
Brugia malayi Thrombospondin type 1 domain containing protein 0.0071 0.1351 0.1351
Loa Loa (eye worm) hypothetical protein 0.0054 0.0654 0.0654
Trichomonas vaginalis spcc417.12 protein, putative 0.0046 0.0276 1
Entamoeba histolytica hypothetical protein 0.0041 0.0052 0.5
Toxoplasma gondii cytochrome c, putative 0.01 0.2631 1
Brugia malayi Fli-1 protein 0.0248 0.9011 0.9011
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0046 0.0276 0.0301
Brugia malayi Ets-domain containing protein 0.0082 0.1827 0.1827
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0046 0.0276 0.0276
Loa Loa (eye worm) hypothetical protein 0.0046 0.0276 0.0276
Echinococcus granulosus cytochrome c 0.01 0.2631 0.2631
Echinococcus granulosus neuroligin 0.0046 0.0276 0.0276
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0046 0.0276 0.0276
Wolbachia endosymbiont of Brugia malayi cytochrome c2 0.01 0.2631 0.5
Schistosoma mansoni neuroligin 3 (S09 family) 0.0046 0.0276 0.0276
Brugia malayi Carboxylesterase family protein 0.0046 0.0276 0.0276
Brugia malayi Ets-domain containing protein 0.0082 0.1827 0.1827
Loa Loa (eye worm) hypothetical protein 0.0271 1 1
Brugia malayi hypothetical protein 0.0046 0.0276 0.0276
Brugia malayi Carboxylesterase family protein 0.0046 0.0276 0.0276
Brugia malayi Carboxylesterase family protein 0.0046 0.0276 0.0276
Echinococcus multilocularis para nitrobenzyl esterase 0.0046 0.0276 0.0276
Loa Loa (eye worm) hypothetical protein 0.017 0.5661 0.5661
Echinococcus multilocularis acetylcholinesterase 0.0271 1 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0054 0.0654 0.0654
Brugia malayi hypothetical protein 0.017 0.5661 0.5661
Schistosoma mansoni BC026374 protein (S09 family) 0.0046 0.0276 0.0276
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0046 0.0276 0.0276
Mycobacterium tuberculosis Carboxylesterase LipT 0.0046 0.0276 0.0301
Loa Loa (eye worm) acetylcholinesterase 1 0.0271 1 1
Onchocerca volvulus 0.0046 0.0276 0.0488
Loa Loa (eye worm) hypothetical protein 0.0046 0.0276 0.0276
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0046 0.0276 0.0276
Brugia malayi Calcitonin receptor-like protein seb-1 0.0054 0.0654 0.0654
Schistosoma mansoni gabp alpha 0.0082 0.1827 0.1827
Entamoeba histolytica hypothetical protein 0.0041 0.0052 0.5
Schistosoma mansoni acetylcholinesterase 0.0046 0.0276 0.0276
Echinococcus granulosus acetylcholinesterase 0.0271 1 1
Brugia malayi Cytochrome c type-1 0.01 0.2631 0.2631
Echinococcus multilocularis GA binding protein alpha chain 0.0082 0.1827 0.1827
Schistosoma mansoni cytochrome c 0.01 0.2631 0.2631
Plasmodium falciparum cytochrome c, putative 0.01 0.2631 0.5
Schistosoma mansoni ets-related 0.0248 0.9011 0.9011
Schistosoma mansoni hypothetical protein 0.0071 0.1351 0.1351
Loa Loa (eye worm) carboxylesterase 0.0271 1 1
Loa Loa (eye worm) hypothetical protein 0.0046 0.0276 0.0276
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0046 0.0276 0.0276
Loa Loa (eye worm) carboxylesterase 0.0046 0.0276 0.0276
Onchocerca volvulus 0.017 0.5661 1
Onchocerca volvulus 0.0046 0.0276 0.0488
Mycobacterium leprae conserved hypothetical protein 0.0039 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0046 0.0276 0.0276
Echinococcus multilocularis cytochrome c 0.01 0.2631 0.2631
Leishmania major cytochrome c, putative 0.01 0.2631 1
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0046 0.0276 0.0301
Leishmania major cytochrome c, putative 0.01 0.2631 1
Onchocerca volvulus 0.0046 0.0276 0.0488
Onchocerca volvulus 0.0071 0.1351 0.2387
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0041 0.0052 0.0052
Echinococcus granulosus acetylcholinesterase 0.0271 1 1
Schistosoma mansoni gliotactin 0.0046 0.0276 0.0276
Echinococcus multilocularis neuroligin 0.0046 0.0276 0.0276
Echinococcus multilocularis acetylcholinesterase 0.0271 1 1
Loa Loa (eye worm) cytochrome c type-1 0.01 0.2631 0.2631
Brugia malayi hypothetical protein 0.0041 0.0052 0.0052
Plasmodium vivax cytochrome c, putative 0.01 0.2631 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0271 1 1
Echinococcus granulosus BC026374 protein S09 family 0.0046 0.0276 0.0276
Loa Loa (eye worm) carboxylesterase 0.0046 0.0276 0.0276
Entamoeba histolytica hypothetical protein 0.0041 0.0052 0.5
Loa Loa (eye worm) hypothetical protein 0.0271 1 1
Brugia malayi Carboxylesterase family protein 0.0271 1 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0041 0.0052 0.0052
Entamoeba histolytica hypothetical protein 0.0041 0.0052 0.5
Trypanosoma cruzi cytochrome c, putative 0.01 0.2631 1
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0082 0.1827 0.1827
Loa Loa (eye worm) hypothetical protein 0.007 0.1316 0.1316
Echinococcus multilocularis BC026374 protein (S09 family) 0.0046 0.0276 0.0276
Onchocerca volvulus 0.0046 0.0276 0.0488
Echinococcus granulosus para nitrobenzyl esterase 0.0046 0.0276 0.0276
Brugia malayi Carboxylesterase family protein 0.0046 0.0276 0.0276
Echinococcus granulosus GA binding protein alpha chain 0.0082 0.1827 0.1827
Loa Loa (eye worm) thrombospondin type 1 domain-containing protein 0.0071 0.1351 0.1351
Loa Loa (eye worm) fli-1 protein 0.0248 0.9011 0.9011
Echinococcus granulosus carboxylesterase 5A 0.0271 1 1
Schistosoma mansoni transcription factor LCR-F1 0.0041 0.0052 0.0052

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) = 79.4 uM Antiproliferative activity against human HT1080 cells by MTT assay ChEMBL. 11325233

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.