Detailed information for compound 103452

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 409.521 | Formula: C24H31N3O3
  • H donors: 2 H acceptors: 2 LogP: 3.47 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc(c1)N1CCN(CC1)CC(=O)NC1CCc2c1c(O)c(C)cc2C
  • InChi: 1S/C24H31N3O3/c1-16-13-17(2)24(29)23-20(16)7-8-21(23)25-22(28)15-26-9-11-27(12-10-26)18-5-4-6-19(14-18)30-3/h4-6,13-14,21,29H,7-12,15H2,1-3H3,(H,25,28)
  • InChiKey: HJPIFNLUNDYHEV-UHFFFAOYSA-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
Echinococcus granulosus acylamino acid releasing enzyme 0.0027 0.0613 0.0613
Toxoplasma gondii prolyl endopeptidase 0.0258 0.5898 1
Trypanosoma cruzi UEV domain/Zinc finger, C3HC4 type (RING finger), putative 0.0073 0.1667 0.1995
Echinococcus granulosus tumor susceptibility gene 101 protein 0.0437 1 1
Schistosoma mansoni tsg101-related 0.0364 0.8326 1
Loa Loa (eye worm) prolyl oligopeptidase 0.0027 0.0613 0.0613
Leishmania major prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative 0.0258 0.5898 1
Trypanosoma brucei oligopeptidase b 0.0102 0.2341 0.3271
Trypanosoma cruzi UEV domain/Zinc finger, C3HC4 type (RING finger), putative 0.0073 0.1667 0.1995
Brugia malayi prolyl oligopeptidase family protein 0.0258 0.5898 0.5898
Trypanosoma cruzi prolyl endopeptidase 0.0258 0.5898 1
Loa Loa (eye worm) prolyl oligopeptidase 0.0027 0.0613 0.0613
Schistosoma mansoni hypothetical protein 0.0093 0.2136 0.2565
Entamoeba histolytica hypothetical protein 0.0073 0.1667 0.1704
Schistosoma mansoni tsg101-related 0.0364 0.8326 1
Echinococcus multilocularis kelch ECH associated protein 1 0.0093 0.213 0.213
Loa Loa (eye worm) hypothetical protein 0.0437 1 1
Trypanosoma cruzi serine peptidase, clan SC, family S9A-like protein, putative 0.0102 0.2341 0.3271
Echinococcus granulosus kelch ECH associated protein 1 like 0.0093 0.213 0.213
Plasmodium vivax hypothetical protein, conserved 0.0027 0.0613 0.5
Trypanosoma cruzi UEV domain/Zinc finger, C3HC4 type (RING finger), putative 0.0073 0.1667 0.1995
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.0027 0.0613 0.0736
Trypanosoma cruzi UEV domain/Zinc finger, C3HC4 type (RING finger), putative 0.0073 0.1667 0.1995
Trypanosoma cruzi oligopeptidase B-like protein, putative 0.0102 0.2341 0.3271
Brugia malayi prolyl oligopeptidase family protein 0.0027 0.0613 0.0613
Entamoeba histolytica hypothetical protein 0.0073 0.1667 0.1704
Schistosoma mansoni acylaminoacyl-peptidase (S09 family) 0.0027 0.0613 0.0736
Trichomonas vaginalis hypothetical protein 0.0213 0.4867 1
Echinococcus multilocularis Kelch repeat type 1 0.0093 0.2136 0.2136
Onchocerca volvulus Prolyl endopeptidase homolog 0.0258 0.5898 1
Brugia malayi prolyl oligopeptidase family protein 0.0027 0.0613 0.0613
Trypanosoma brucei prolyl oligopeptidase, putative 0.0102 0.2341 0.3271
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0258 0.5898 0.7083
Trypanosoma cruzi hypothetical protein, conserved 0.0073 0.1667 0.1995
Trypanosoma cruzi UEV domain/Zinc finger, C3HC4 type (RING finger), putative 0.0073 0.1667 0.1995
Trypanosoma brucei prolyl endopeptidase 0.0258 0.5898 1
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.0102 0.2341 0.5
Schistosoma mansoni tsg101-related 0.0297 0.68 0.8167
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.0027 0.0613 0.0613
Trypanosoma cruzi UEV domain/Zinc finger, C3HC4 type (RING finger), putative 0.0073 0.1667 0.1995
Entamoeba histolytica hypothetical protein 0.0073 0.1667 0.1704
Leishmania major oligopeptidase b 0.0102 0.2341 0.3271
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0027 0.0613 0.0736
Entamoeba histolytica tumor susceptibility gene 101 protein, putative 0.0297 0.68 1
Trypanosoma cruzi UEV domain/Zinc finger, C3HC4 type (RING finger), putative 0.0073 0.1667 0.1995
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.0027 0.0613 0.0613
Trypanosoma cruzi UEV domain/Zinc finger, C3HC4 type (RING finger), putative 0.0073 0.1667 0.1995
Echinococcus multilocularis kelch ECH associated protein 1 0.0093 0.213 0.213
Loa Loa (eye worm) hypothetical protein 0.0258 0.5898 0.5898
Echinococcus multilocularis acylamino acid releasing enzyme 0.0027 0.0613 0.0613
Trichomonas vaginalis conserved hypothetical protein 0.0073 0.1667 0.2479
Trypanosoma brucei Vps23 core domain containing protein, putative 0.014 0.3194 0.4883
Loa Loa (eye worm) hypothetical protein 0.0027 0.0613 0.0613
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0258 0.5898 0.7083
Entamoeba histolytica hypothetical protein 0.0073 0.1667 0.1704
Mycobacterium tuberculosis Probable protease II PtrBa [first part] (oligopeptidase B) 0.0231 0.5279 1
Plasmodium falciparum peptidase, putative 0.0027 0.0613 0.5
Echinococcus granulosus kelch ECH associated protein 1 0.0093 0.213 0.213
Echinococcus multilocularis Dipeptidyl peptidase 9 0.0027 0.0613 0.0613
Trypanosoma cruzi UEV domain/Zinc finger, C3HC4 type (RING finger), putative 0.0073 0.1667 0.1995
Trypanosoma cruzi oligopeptidase b 0.0102 0.2341 0.3271
Trypanosoma brucei UEV domain/Zinc finger, C3HC4 type (RING finger), putative 0.0073 0.1667 0.1995
Brugia malayi prolyl oligopeptidase family protein 0.0027 0.0613 0.0613
Leishmania major hypothetical protein, conserved 0.014 0.3194 0.4883
Trypanosoma cruzi Vps23 core domain containing protein, putative 0.014 0.3194 0.4883
Trypanosoma cruzi UEV domain/Zinc finger, C3HC4 type (RING finger), putative 0.0073 0.1667 0.1995
Echinococcus granulosus kelch ECH associated protein 1 like 0.0093 0.213 0.213
Echinococcus multilocularis tumor susceptibility gene 101 protein 0.0437 1 1
Trypanosoma brucei serine peptidase, clan SC, family S9A-like protein 0.0102 0.2341 0.3271
Giardia lamblia Alanyl dipeptidyl peptidase 0.0027 0.0613 0.5
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.0027 0.0613 0.0736
Trypanosoma cruzi hypothetical protein, conserved 0.0073 0.1667 0.1995
Echinococcus granulosus Dipeptidyl peptidase 9 0.0027 0.0613 0.0613
Trichomonas vaginalis conserved hypothetical protein 0.0073 0.1667 0.2479
Echinococcus multilocularis prolyl endopeptidase 0.0258 0.5898 0.5898
Leishmania major oligopeptidase B-like protein,serine peptidase, clan SC, family S9A-like protein 0.0102 0.2341 0.3271
Mycobacterium ulcerans protease II (oligopeptidase B), PtrB 0.0102 0.2341 0.5
Brugia malayi prolyl oligopeptidase family protein 0.0027 0.0613 0.0613
Loa Loa (eye worm) hypothetical protein 0.0027 0.0613 0.0613
Trypanosoma cruzi oligopeptidase b 0.0102 0.2341 0.3271
Trypanosoma cruzi UEV domain/Zinc finger, C3HC4 type (RING finger), putative 0.0073 0.1667 0.1995
Giardia lamblia Alanyl dipeptidyl peptidase 0.0027 0.0613 0.5
Echinococcus granulosus prolyl endopeptidase 0.0258 0.5898 0.5898

Activities

Activity type Activity value Assay description Source Reference
RRT (functional) = 64.2 s Time of recovery of righting reflux (RRT) in seconds was measured after oral administration of 30 mg/kg in mice for the promotional effect on recovery from coma. ChEMBL. 1676757
RRT (functional) = 64.2 s Time of recovery of righting reflux (RRT) in seconds was measured after oral administration of 30 mg/kg in mice for the promotional effect on recovery from coma. ChEMBL. 1676757
SMT (functional) = 54.7 s Spontaneous movement (SMT) in seconds, was measured after oral administration of 30 mg/kg in mice to test for promoting effects on recovery from coma. ChEMBL. 1676757
SMT (functional) = 54.7 s Spontaneous movement (SMT) in seconds, was measured after oral administration of 30 mg/kg in mice to test for promoting effects on recovery from coma. ChEMBL. 1676757
SVT (functional) = 77.2 % Antihypoxic effect tested by the ratio of survival time (SVT) of test mice to that of control group, dosed orally 30 mg/kg ChEMBL. 1676757
SVT (functional) = 77.2 % Antihypoxic effect tested by the ratio of survival time (SVT) of test mice to that of control group, dosed orally 30 mg/kg ChEMBL. 1676757

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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