Detailed information for compound 869652

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 397.83 | Formula: C21H17ClFN3O2
  • H donors: 1 H acceptors: 2 LogP: 3.22 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CCn1c(=O)c2cccn2c2c1cc(F)cc2)NCc1ccc(cc1)Cl
  • InChi: 1S/C21H17ClFN3O2/c22-15-5-3-14(4-6-15)13-24-20(27)9-11-26-19-12-16(23)7-8-17(19)25-10-1-2-18(25)21(26)28/h1-8,10,12H,9,11,13H2,(H,24,27)
  • InChiKey: DPEQJHKJRBGOEV-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
Schistosoma mansoni caspase-7 (C14 family) 0.0096 0.4492 0.4492
Trypanosoma brucei SUMO1/Ulp2, putative 0.0038 0 0.5
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0089 0.3969 1
Loa Loa (eye worm) Ulp1 protease 0.0089 0.3969 1
Brugia malayi Ulp1 protease family, C-terminal catalytic domain containing protein 0.0089 0.3969 1
Plasmodium falciparum sentrin-specific protease 1 0.0038 0 0.5
Chlamydia trachomatis deubiquitinase/deneddylase Dub1 0.0038 0 0.5
Echinococcus granulosus caspase 3 apoptosis cysteine peptidase 0.0096 0.4492 0.4492
Schistosoma mansoni family C48 unassigned peptidase (C48 family) 0.0168 1 1
Plasmodium vivax sentrin-specific protease 2, putative 0.0038 0 0.5
Toxoplasma gondii Ulp1 protease family, C-terminal catalytic domain-containing protein 0.0038 0 0.5
Echinococcus granulosus caspase 0.0096 0.4492 0.4492
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.0827 0.2084
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0089 0.3969 1
Chlamydia trachomatis deubiquitinase/deneddylase Dub2 0.0038 0 0.5
Plasmodium vivax sentrin-specific protease 1, putative 0.0038 0 0.5
Schistosoma mansoni caspase-3 (C14 family) 0.0096 0.4492 0.4492
Echinococcus granulosus sentrin specific protease 8 0.0089 0.3969 0.3969
Leishmania major SUMO1/Ulp2, putative,cysteine peptidase, Clan CA, family C48, putative 0.0038 0 0.5
Giardia lamblia Sentrin specific protease, putative 0.0038 0 0.5
Echinococcus multilocularis expressed conserved protein 0.0131 0.7129 0.7129
Echinococcus multilocularis sentrin specific protease 7 0.0168 1 1
Trichomonas vaginalis Sentrin-specific protease, putative 0.0089 0.3969 1
Schistosoma mansoni family C48 unassigned peptidase (C48 family) 0.0089 0.3969 0.3969
Echinococcus multilocularis caspase 3, apoptosis cysteine peptidase 0.0096 0.4492 0.4492
Loa Loa (eye worm) hypothetical protein 0.0048 0.0827 0.2084
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.0827 0.2084
Entamoeba histolytica Ulp1 protease family, C-terminal catalytic domain containing protein 0.0168 1 1
Echinococcus granulosus caspase 3 0.007 0.2524 0.2524
Echinococcus granulosus expressed conserved protein 0.0131 0.7129 0.7129
Entamoeba histolytica Ulp1 protease family, C-terminal catalytic domain containing protein 0.0089 0.3969 0.3969
Toxoplasma gondii Ulp1 protease family, C-terminal catalytic domain-containing protein 0.0038 0 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.0827 0.2084
Onchocerca volvulus 0.0038 0 0.5
Echinococcus multilocularis caspase 0.0096 0.4492 0.4492
Toxoplasma gondii Ulp1 protease family, C-terminal catalytic domain-containing protein 0.0038 0 0.5
Trypanosoma cruzi hypothetical protein 0.0089 0.3969 1
Echinococcus multilocularis sentrin specific protease 8 0.0089 0.3969 0.3969
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0089 0.3969 1
Echinococcus multilocularis caspase 3 0.007 0.2524 0.2524

Activities

No activities found for this compound.

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.

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