Detailed information for compound 49783

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 214.263 | Formula: C13H14N2O
  • H donors: 2 H acceptors: 1 LogP: 2.23 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1[nH]c2c(c1)cc1c(c2)NC(=O)C1(C)C
  • InChi: 1S/C13H14N2O/c1-7-4-8-5-9-11(6-10(8)14-7)15-12(16)13(9,2)3/h4-6,14H,1-3H3,(H,15,16)
  • InChiKey: RQCWXWVZSVAYCB-UHFFFAOYSA-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
Brugia malayi Trypsin family protein 0.3499 0.9788 1
Toxoplasma gondii PAN domain-containing protein 0.2099 0.5618 1
Schistosoma mansoni hypothetical protein 0.0461 0.0736 0.0736
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0461 0.0736 0.0736
Echinococcus granulosus tissue type plasminogen activator 0.1039 0.2459 1
Onchocerca volvulus 0.1039 0.2459 0.239
Brugia malayi Trypsin family protein 0.0461 0.0736 0.0601
Onchocerca volvulus 0.0461 0.0736 0.0601
Brugia malayi Kringle domain containing protein 0.1039 0.2459 0.239
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0461 0.0736 0.0736
Brugia malayi hypothetical protein 0.0461 0.0736 0.0601
Toxoplasma gondii PAN domain-containing protein 0.2099 0.5618 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0461 0.0736 0.0736
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0461 0.0736 0.0736
Brugia malayi Trypsin family protein 0.0461 0.0736 0.0601
Loa Loa (eye worm) hypothetical protein 0.0461 0.0736 0.0601
Schistosoma mansoni hypothetical protein 0.1039 0.2459 0.2459
Onchocerca volvulus 0.0461 0.0736 0.0601
Onchocerca volvulus 0.0461 0.0736 0.0601
Echinococcus multilocularis tissue type plasminogen activator 0.1039 0.2459 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0461 0.0736 0.0736
Loa Loa (eye worm) trypsin family protein 0.0461 0.0736 0.0601
Schistosoma mansoni cercarial elastase (S01 family) 0.0461 0.0736 0.0736
Schistosoma mansoni cercarial elastase (S01 family) 0.0461 0.0736 0.0736
Schistosoma mansoni cercarial elastase (S01 family) 0.0461 0.0736 0.0736
Loa Loa (eye worm) hypothetical protein 0.0461 0.0736 0.0601
Onchocerca volvulus 0.0461 0.0736 0.0601
Brugia malayi Protein kinase domain containing protein 0.1039 0.2459 0.239
Schistosoma mansoni cercarial elastase (S01 family) 0.0461 0.0736 0.0736
Mycobacterium ulcerans hypothetical protein 0.0461 0.0736 0.5
Loa Loa (eye worm) hypothetical protein 0.0461 0.0736 0.0601
Brugia malayi Chymotrypsin-like protease CTRL-1 precursor 0.0461 0.0736 0.0601
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0497 0.0843 0.0843
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0461 0.0736 0.0736
Loa Loa (eye worm) hypothetical protein 0.3499 0.9788 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0461 0.0736 0.0736
Onchocerca volvulus 0.0461 0.0736 0.0601
Schistosoma mansoni cercarial elastase (S01 family) 0.0461 0.0736 0.0736
Loa Loa (eye worm) hypothetical protein 0.1039 0.2459 0.239
Brugia malayi Trypsin-like protease protein 5 0.0461 0.0736 0.0601
Loa Loa (eye worm) hypothetical protein 0.0461 0.0736 0.0601
Loa Loa (eye worm) hypothetical protein 0.3499 0.9788 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0461 0.0736 0.0736
Schistosoma mansoni cercarial elastase (S01 family) 0.0461 0.0736 0.0736
Schistosoma mansoni cercarial elastase (S01 family) 0.0461 0.0736 0.0736
Loa Loa (eye worm) hypothetical protein 0.0461 0.0736 0.0601
Schistosoma mansoni cercarial elastase (S01 family) 0.0461 0.0736 0.0736
Onchocerca volvulus 0.3499 0.9788 1
Loa Loa (eye worm) TK/ROR protein kinase 0.1039 0.2459 0.239
Plasmodium falciparum cysteine repeat modular protein 1 0.1039 0.2459 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.1039 0.2459 0.5
Leishmania major hypothetical protein, conserved 0.1039 0.2459 0.5
Onchocerca volvulus 0.3038 0.8415 0.8574
Brugia malayi Trypsin family protein 0.0461 0.0736 0.0601
Schistosoma mansoni hypothetical protein 0.0461 0.0736 0.0736
Plasmodium vivax cysteine repeat modular protein 1, putative 0.1039 0.2459 0.5
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.3499 0.9788 0.9788

Activities

Activity type Activity value Assay description Source Reference
ED1.5 (functional) NT 0 mg kg-1 Effective dose required to produce an increase in dP/dt5 by 1500 mmHg/s in cats;NT means not tested. ChEMBL. 2544724
ED1.5 (functional) NT 0 mg kg-1 Effective dose required to produce an increase in dP/dt5 by 1500 mmHg/s in dogs;NT means not tested. ChEMBL. 2544724
ED1.5 (functional) > 3 mg kg-1 Effective dose required to produce an increase in dP/dt5 by 1500 mmHg/s in rats ChEMBL. 2544724
Max (functional) NO 0 mmHg s-1 Maximum increase in dP/dt when administered intravenously in rats ;NO means value not obtained. ChEMBL. 2544724
Max (functional) ND 0 mmHg s-1 Maximum increase in dP/dt when administered intravenously in cats ;ND means no data. ChEMBL. 2544724
Max (functional) ND 0 mmHg s-1 Maximum increase in dP/dt when administered intravenously in dogs. ChEMBL. 2544724

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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