Detailed information for compound 311488

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 383.481 | Formula: C23H29NO4
  • H donors: 1 H acceptors: 3 LogP: 3.2 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)[C@@H]1CC2C3Cc4c(C2(CC1=O)CCN3CC1CC1)cc(cc4)O
  • InChi: 1S/C23H29NO4/c1-2-28-22(27)17-11-19-20-9-15-5-6-16(25)10-18(15)23(19,12-21(17)26)7-8-24(20)13-14-3-4-14/h5-6,10,14,17,19-20,25H,2-4,7-9,11-13H2,1H3/t17-,19?,20?,23?/m1/s1
  • InChiKey: NGDXDQSSXJGFDM-WEYFRBKDSA-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
Onchocerca volvulus 0.0167 0.0376 0.742
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0167 0.0376 0.0376
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0167 0.0376 0.0376
Entamoeba histolytica rodhanase-like domain containing protein 0.0058 0.0046 0.1215
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0167 0.0376 0.0376
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0167 0.0376 0.0376
Onchocerca volvulus 4.1 G protein, putative homolog 0.0167 0.0376 0.742
Loa Loa (eye worm) protein tyrosine phosphatase 0.0167 0.0376 0.0376
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0167 0.0376 0.0376
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0167 0.0376 0.0376
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0167 0.0376 0.0376
Brugia malayi Protein-tyrosine phosphatase 0.0175 0.0399 0.0399
Echinococcus granulosus Receptor type tyrosine protein phosphatase O 0.0167 0.0376 0.0376
Plasmodium vivax serine/threonine protein phosphatase 2B catalytic subunit A, putative 0.0043 0 0.5
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0167 0.0376 0.0376
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0167 0.0376 0.0376
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0167 0.0376 0.0376
Echinococcus multilocularis receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type 0.0213 0.0514 0.0514
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0167 0.0376 0.0376
Onchocerca volvulus 0.0167 0.0376 0.742
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0167 0.0376 0.0376
Loa Loa (eye worm) protein-tyrosine-phosphatase 0.0167 0.0376 0.0376
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0167 0.0376 0.0376
Onchocerca volvulus 0.0167 0.0376 0.742
Loa Loa (eye worm) hypothetical protein 0.0167 0.0376 0.0376
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0167 0.0376 0.0376
Brugia malayi hypothetical protein 0.0167 0.0376 0.0376
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0167 0.0376 0.0376
Entamoeba histolytica Pten 3-phosphoinositide phosphatase, putative 0.0167 0.0376 1
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0167 0.0376 0.0376
Onchocerca volvulus 0.0167 0.0376 0.742
Brugia malayi Rhodanese-like domain containing protein 0.0058 0.0046 0.0046
Loa Loa (eye worm) hypothetical protein 0.0167 0.0376 0.0376
Schistosoma mansoni receptor protein tyrosine phosphatase n (ia2) 0.0167 0.0376 0.0376
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0167 0.0376 0.0376
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.3225 0.9637 0.9637
Echinococcus multilocularis Receptor type tyrosine protein phosphatase O 0.0213 0.0514 0.0514
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0167 0.0376 0.0376
Onchocerca volvulus 0.0167 0.0376 0.742
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0167 0.0376 0.0376
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0167 0.0376 0.0376
Schistosoma mansoni protein-tyrosine phosphatase non-receptor type nt5 0.0167 0.0376 0.0376
Onchocerca volvulus 0.0167 0.0376 0.742
Brugia malayi Dual specificity protein phosphatase CDC14B 0.0167 0.0376 0.0376
Loa Loa (eye worm) protein-tyrosine phosphatase 1 0.0167 0.0376 0.0376
Onchocerca volvulus 0.0167 0.0376 0.742
Toxoplasma gondii protein phosphatase 2B catalytic subunit, calcineurin family phosphatse superfamily protein 0.0043 0 0.5
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0167 0.0376 0.0376
Onchocerca volvulus 0.0167 0.0376 0.742
Schistosoma mansoni receptor protein tyrosine phosphatase 0.0175 0.0399 0.0399
Echinococcus granulosus Receptor type tyrosine protein phosphatase O 0.0167 0.0376 0.0376
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0167 0.0376 0.0376
Onchocerca volvulus 0.0167 0.0376 0.742
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0167 0.0376 0.0376
Brugia malayi hypothetical protein 0.0167 0.0376 0.0376
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0167 0.0376 0.0376
Loa Loa (eye worm) hypothetical protein 0.0167 0.0376 0.0376
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0167 0.0376 1
Trichomonas vaginalis pten, drome, putative 0.0167 0.0376 1
Schistosoma mansoni protein tyrosine phosphatase n11 (shp2) 0.0167 0.0376 0.0376
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0167 0.0376 0.0376
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0219 0.0533 0.0533
Brugia malayi Protein-tyrosine phosphatase 0.0167 0.0376 0.0376
Entamoeba histolytica rodhanase-like domain containing protein 0.0058 0.0046 0.1215
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0167 0.0376 0.0376
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0167 0.0376 0.0376
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0167 0.0376 0.0376
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0167 0.0376 0.0376
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0219 0.0533 0.0533
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0167 0.0376 0.0376
Brugia malayi Rhodanese-like domain containing protein 0.0058 0.0046 0.0046
Loa Loa (eye worm) hypothetical protein 0.0045 0.0008 0.0008
Onchocerca volvulus 0.0167 0.0376 0.742
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0167 0.0376 0.0376
Loa Loa (eye worm) hypothetical protein 0.0167 0.0376 0.0376
Echinococcus multilocularis receptor type tyrosine protein phosphatase H 0.0167 0.0376 0.0376
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0167 0.0376 0.0376
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0219 0.0533 0.0533
Schistosoma mansoni m-phase inducer phosphatase(cdc25) 0.0058 0.0046 0.0046
Onchocerca volvulus 0.0167 0.0376 0.742
Echinococcus multilocularis 0.0167 0.0376 0.0376
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0167 0.0376 0.0376
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0167 0.0376 0.0376
Loa Loa (eye worm) fibronectin type III domain-containing protein 0.0213 0.0514 0.0514
Trypanosoma cruzi tyrosine specific protein phosphatase, putative 0.0205 0.0491 1
Echinococcus granulosus receptor type tyrosine protein phosphatase zeta 0.0175 0.0399 0.0399
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0167 0.0376 0.0376
Loa Loa (eye worm) hypothetical protein 0.0167 0.0376 0.0376
Echinococcus granulosus m phase inducer phosphatasecdc25 0.0058 0.0046 0.0046
Echinococcus multilocularis m phase inducer phosphatase(cdc25) 0.0058 0.0046 0.0046
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0167 0.0376 0.0376
Onchocerca volvulus 0.0167 0.0376 0.742
Loa Loa (eye worm) hypothetical protein 0.0058 0.0046 0.0046
Loa Loa (eye worm) hypothetical protein 0.0044 0.0004 0.0004
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0167 0.0376 0.0376
Trypanosoma brucei protein tyrosine phosphatase 1 0.0167 0.0376 1
Loa Loa (eye worm) hypothetical protein 0.0167 0.0376 0.0376
Loa Loa (eye worm) protein-tyrosine phosphatase 0.3345 1 1
Leishmania major tyrosine specific protein phosphatase, putative 0.0205 0.0491 1
Loa Loa (eye worm) hypothetical protein 0.0167 0.0376 0.0376
Echinococcus multilocularis receptor type tyrosine protein phosphatase zeta 0.0167 0.0376 0.0376
Echinococcus granulosus protein tyrosine phosphatase n9 0.0167 0.0376 0.0376
Echinococcus multilocularis receptor type tyrosine protein phosphatase zeta 0.0175 0.0399 0.0399
Loa Loa (eye worm) hypothetical protein 0.0167 0.0376 0.0376
Loa Loa (eye worm) hypothetical protein 0.0167 0.0376 0.0376
Loa Loa (eye worm) hypothetical protein 0.0167 0.0376 0.0376
Echinococcus multilocularis hypothetical protein 0.0167 0.0376 0.0376
Loa Loa (eye worm) hypothetical protein 0.0167 0.0376 0.0376
Loa Loa (eye worm) hypothetical protein 0.0054 0.0032 0.0032
Loa Loa (eye worm) hypothetical protein 0.0167 0.0376 0.0376
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.3233 0.966 0.966
Loa Loa (eye worm) hypothetical protein 0.0167 0.0376 0.0376
Loa Loa (eye worm) hypothetical protein 0.0167 0.0376 0.0376
Schistosoma mansoni protein tyrosine phosphatase 0.0167 0.0376 0.0376
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0213 0.0514 0.0514
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0219 0.0533 0.0533
Onchocerca volvulus 0.0167 0.0376 0.742
Leishmania major protein-tyrosine phosphatase 1-like protein 0.0167 0.0376 0.766
Schistosoma mansoni receptor protein tyrosine phosphatase n (ia2) 0.0167 0.0376 0.0376
Schistosoma mansoni protein tyrosine phosphatase 0.0167 0.0376 0.0376
Giardia lamblia Protein tyrosine phosphatase 0.0167 0.0376 0.5
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.3345 1 1
Echinococcus granulosus receptor type tyrosine protein phosphatase zeta 0.0167 0.0376 0.0376
Loa Loa (eye worm) dual specificity protein phosphatase CDC14B 0.0167 0.0376 0.0376
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0219 0.0533 0.0533
Schistosoma mansoni protein tyrosine phosphatase non-receptor type nt1 0.3345 1 1
Entamoeba histolytica rodhanase-like domain containing protein 0.0058 0.0046 0.1215
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0167 0.0376 0.0376
Schistosoma mansoni receptor protein tyrosine phosphatase r (pcptp1) 0.0167 0.0376 0.0376
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0167 0.0376 0.0376
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0167 0.0376 0.0376
Trypanosoma cruzi tyrosine specific protein phosphatase, putative 0.0205 0.0491 1
Plasmodium falciparum serine/threonine protein phosphatase 2B catalytic subunit A 0.0043 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0167 0.0376 0.0376
Loa Loa (eye worm) hypothetical protein 0.0167 0.0376 0.0376
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0167 0.0376 0.0376
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0213 0.0514 0.0514
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0167 0.0376 0.0376
Schistosoma mansoni protein tyrosine phosphatase 0.0175 0.0399 0.0399
Echinococcus multilocularis receptor type tyrosine protein phosphatase F 0.0219 0.0533 0.0533
Brugia malayi hypothetical protein 0.0167 0.0376 0.0376
Onchocerca volvulus 0.0167 0.0376 0.742
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0167 0.0376 0.0376
Trypanosoma cruzi tyrosine specific protein phosphatase, putative 0.0167 0.0376 0.766
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0167 0.0376 0.0376
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0167 0.0376 0.0376
Brugia malayi protein-tyrosine phosphatase Lar-like precursor, putative 0.0205 0.0491 0.0491
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0167 0.0376 0.0376
Echinococcus multilocularis Receptor type tyrosine protein phosphatase O 0.0205 0.0491 0.0491
Onchocerca volvulus 0.0205 0.0491 1
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0167 0.0376 0.0376
Loa Loa (eye worm) hypothetical protein 0.0167 0.0376 0.0376
Onchocerca volvulus 0.0167 0.0376 0.742
Loa Loa (eye worm) hypothetical protein 0.0167 0.0376 0.0376
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.3345 1 1
Loa Loa (eye worm) hypothetical protein 0.0167 0.0376 0.0376
Loa Loa (eye worm) hypothetical protein 0.0167 0.0376 0.0376
Schistosoma mansoni rgs-gaip interacting protein gipc 0.0167 0.0376 0.0376
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0167 0.0376 1
Echinococcus multilocularis Receptor type tyrosine protein phosphatase O 0.0205 0.0491 0.0491
Onchocerca volvulus 0.0167 0.0376 0.742
Echinococcus multilocularis Receptor type tyrosine protein phosphatase O 0.0205 0.0491 0.0491
Loa Loa (eye worm) hypothetical protein 0.0167 0.0376 0.0376
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0167 0.0376 0.0376
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0167 0.0376 0.0376
Loa Loa (eye worm) hypothetical protein 0.0167 0.0376 0.0376
Loa Loa (eye worm) hypothetical protein 0.0167 0.0376 0.0376
Onchocerca volvulus 0.0167 0.0376 0.742
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0167 0.0376 0.0376
Loa Loa (eye worm) hypothetical protein 0.0058 0.0046 0.0046
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0167 0.0376 0.0376
Loa Loa (eye worm) hypothetical protein 0.0167 0.0376 0.0376
Echinococcus multilocularis receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type 0.3225 0.9637 0.9637
Brugia malayi hypothetical protein 0.0167 0.0376 0.0376
Brugia malayi Protein-tyrosine phosphatase 1 0.0167 0.0376 0.0376
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0167 0.0376 0.0376
Schistosoma mansoni protein-tyrosine phosphatase n9 0.0167 0.0376 0.0376
Onchocerca volvulus 0.0167 0.0376 0.742
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0167 0.0376 0.0376
Brugia malayi hypothetical protein 0.0167 0.0376 0.0376
Loa Loa (eye worm) hypothetical protein 0.0167 0.0376 0.0376
Onchocerca volvulus 0.0167 0.0376 0.742
Onchocerca volvulus 0.0167 0.0376 0.742
Onchocerca volvulus 0.0167 0.0376 0.742
Loa Loa (eye worm) hypothetical protein 0.0054 0.0032 0.0032
Echinococcus multilocularis protein tyrosine phosphatase n9 0.0167 0.0376 0.0376
Loa Loa (eye worm) hypothetical protein 0.0167 0.0376 0.0376
Onchocerca volvulus 0.0167 0.0376 0.742
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0167 0.0376 0.0376
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0175 0.0399 0.0399
Schistosoma mansoni non-receptor protein-tyrosine phosphatase 0.0167 0.0376 0.0376
Schistosoma mansoni pcd6 interacting protein-related 0.0167 0.0376 0.0376

Activities

Activity type Activity value Assay description Source Reference
AD50 (functional) = 3.12 mg kg-1 Narcotic antagonist activity was measured by rat tail flick procedure after the drug was injected intraperitoneally ChEMBL. 7120287
ED50 (functional) = 4.9 mg kg-1 Analgesic activity by mouse writhing test after subcutaneous injection. ChEMBL. 7120287
ED50 (functional) = 4.9 mg kg-1 Analgesic activity by mouse writhing test after subcutaneous injection. ChEMBL. 7120287

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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