Detailed information for compound 1785361

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 310.344 | Formula: C19H18O4
  • H donors: 0 H acceptors: 1 LogP: 3.91 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1c2CCC(Oc2cc2c1oc1ccccc1c2=O)(C)C
  • InChi: 1S/C19H18O4/c1-19(2)9-8-12-15(23-19)10-13-16(20)11-6-4-5-7-14(11)22-18(13)17(12)21-3/h4-7,10H,8-9H2,1-3H3
  • InChiKey: AGPBWIJOTOAIJF-UHFFFAOYSA-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
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.0167 0.6675 0.5
Loa Loa (eye worm) hypothetical protein 0.0098 0.3094 0.306
Echinococcus granulosus Niemann Pick C1 protein 0.0098 0.3094 0.3205
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.0167 0.6675 0.6873
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.0167 0.6675 0.5
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0095 0.2964 0.0658
Echinococcus multilocularis protein patched 0.0042 0.0202 0.0209
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0095 0.2964 1
Loa Loa (eye worm) hypothetical protein 0.0081 0.2202 0.2116
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0202 0.5
Brugia malayi hypothetical protein 0.0086 0.2499 0.243
Echinococcus granulosus Dipeptidyl peptidase 9 0.0167 0.6675 0.6913
Echinococcus granulosus Protein patched homolog 1 0.0042 0.0202 0.0209
Schistosoma mansoni hypothetical protein 0.0168 0.6749 0.6951
Schistosoma mansoni hypothetical protein 0.0168 0.6749 0.6951
Loa Loa (eye worm) hypothetical protein 0.0051 0.0691 0.0518
Echinococcus multilocularis Dipeptidyl peptidase 9 0.0167 0.6675 0.6913
Echinococcus granulosus Niemann Pick C1 protein 0.014 0.5269 0.5457
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.0224 0.9656 1
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.0167 0.6675 0.5
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.0224 0.9656 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0593 0.0414
Schistosoma mansoni patched 1 0.0042 0.0202 0.0082
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0593 0.0414
Echinococcus multilocularis Niemann Pick C1 protein 0.0098 0.3094 0.3205
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0098 0.3094 0.5
Echinococcus granulosus sterol regulatory element binding protein 0.0042 0.0202 0.0209
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0099 0.3173 0.3199
Echinococcus multilocularis geminin 0.0168 0.6749 0.699
Echinococcus granulosus expressed conserved protein 0.0092 0.2787 0.2887
Loa Loa (eye worm) prolyl oligopeptidase 0.0224 0.9656 1
Loa Loa (eye worm) hypothetical protein 0.0086 0.2499 0.243
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.0224 0.9656 1
Echinococcus multilocularis sterol regulatory element binding protein 0.0042 0.0202 0.0209
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.0224 0.9656 1
Brugia malayi Niemann-Pick C1 protein precursor 0.0098 0.3094 0.306
Echinococcus multilocularis protein dispatched 1 0.0048 0.0509 0.0527
Brugia malayi prolyl oligopeptidase family protein 0.0224 0.9656 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0095 0.2964 0.0658
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0095 0.2964 0.0658
Echinococcus multilocularis Niemann Pick C1 protein 0.014 0.5269 0.5457
Brugia malayi prolyl oligopeptidase family protein 0.0167 0.6675 0.6847
Echinococcus granulosus geminin 0.0168 0.6749 0.699
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.0113 0.3879 0.5
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.0167 0.6675 0.5
Echinococcus multilocularis expressed conserved protein 0.0092 0.2787 0.2887
Loa Loa (eye worm) hypothetical protein 0.0049 0.0593 0.0414
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0593 0.0414
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.0167 0.6675 0.5

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) = 31.8 uM Cytotoxicity against human HL60 cells after 48 hrs by SRB assay ChEMBL. 24113365

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.