Detailed information for compound 163901

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 389.424 | Formula: C22H15NO4S
  • H donors: 0 H acceptors: 3 LogP: 4.94 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(o1)/C=C/1\SC(=O)N(C1=O)C(=O)c1cccc(c1)c1ccccc1
  • InChi: 1S/C22H15NO4S/c1-14-10-11-18(27-14)13-19-21(25)23(22(26)28-19)20(24)17-9-5-8-16(12-17)15-6-3-2-4-7-15/h2-13H,1H3/b19-13-
  • InChiKey: XYGRFDGIYLBGEV-UYRXBGFRSA-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 0.0224 0.0914 0.3206
Brugia malayi Fibulin-1 precursor 0.0245 0.1097 0.395
Onchocerca volvulus 0.0224 0.0914 0.3206
Leishmania major hypothetical protein, conserved 0.042 0.2589 0.5
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0224 0.0914 0.089
Schistosoma mansoni subfamily M12A unassigned peptidase (M12 family) 0.0245 0.1097 0.1096
Echinococcus granulosus Mastin 0.0702 0.4995 0.5484
Loa Loa (eye worm) hypothetical protein 0.0224 0.0914 0.3529
Echinococcus granulosus Tolloid protein 1 0.0245 0.1097 0.1096
Loa Loa (eye worm) hypothetical protein 0.0224 0.0914 0.3529
Echinococcus multilocularis glycoprotein Antigen 5 0.0702 0.4995 0.5484
Loa Loa (eye worm) multiple epidermal growth factor-like domains 6 0.0245 0.1097 0.4238
Loa Loa (eye worm) hypothetical protein 0.0245 0.1097 0.4238
Echinococcus multilocularis fibrillin 1 0.0245 0.1097 0.1096
Echinococcus granulosus chromobox protein 2 0.1171 0.9007 1
Toxoplasma gondii kringle domain-containing protein 0.042 0.2589 0.1676
Echinococcus granulosus tissue type plasminogen activator 0.042 0.2589 0.2776
Schistosoma mansoni chromobox protein 0.1171 0.9007 1
Brugia malayi Protein kinase domain containing protein 0.042 0.2589 1
Echinococcus granulosus enteropeptidase 0.0702 0.4995 0.5484
Echinococcus multilocularis chromobox protein 2 0.1171 0.9007 1
Echinococcus multilocularis tissue type plasminogen activator 0.042 0.2589 0.2776
Loa Loa (eye worm) hypothetical protein 0.0131 0.0123 0.0476
Schistosoma mansoni egf-like domain protein 0.0245 0.1097 0.1096
Echinococcus multilocularis Tolloid protein 1 0.0245 0.1097 0.1096
Echinococcus granulosus laminin 0.0245 0.1097 0.1096
Echinococcus multilocularis Mastin 0.0702 0.4995 0.5484
Brugia malayi Kringle domain containing protein 0.042 0.2589 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0224 0.0914 0.089
Loa Loa (eye worm) hypothetical protein 0.0131 0.0123 0.0476
Echinococcus multilocularis laminin 0.0245 0.1097 0.1096
Loa Loa (eye worm) trypsin family protein 0.0131 0.0123 0.0476
Loa Loa (eye worm) TK/ROR protein kinase 0.042 0.2589 1
Loa Loa (eye worm) hypothetical protein 0.042 0.2589 1
Loa Loa (eye worm) integrin alpha pat-2 0.023 0.0963 0.372
Plasmodium vivax cysteine repeat modular protein 1, putative 0.042 0.2589 0.5
Loa Loa (eye worm) hypothetical protein 0.0131 0.0123 0.0476
Loa Loa (eye worm) low-density lipoprotein receptor repeat class B containing protein 0.0245 0.1097 0.4238
Loa Loa (eye worm) hypothetical protein 0.0131 0.0123 0.0476
Echinococcus granulosus glycoprotein Antigen 5 0.0702 0.4995 0.5484
Schistosoma mansoni integrin alpha 0.0149 0.0274 0.0169
Trypanosoma cruzi hypothetical protein, conserved 0.042 0.2589 0.5
Plasmodium falciparum cysteine repeat modular protein 1 0.042 0.2589 0.5
Onchocerca volvulus Arrow homolog 0.0245 0.1097 0.395
Loa Loa (eye worm) hypothetical protein 0.0245 0.1097 0.4238
Mycobacterium ulcerans hypothetical protein 0.0131 0.0123 0.5
Onchocerca volvulus 0.042 0.2589 1
Toxoplasma gondii PAN domain-containing protein 0.1287 1 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0702 0.4995 0.5484
Loa Loa (eye worm) hypothetical protein 0.0131 0.0123 0.0476
Brugia malayi Calcium binding EGF domain containing protein 0.0245 0.1097 0.395
Brugia malayi Low-density lipoprotein receptor repeat class B containing protein 0.0245 0.1097 0.395
Brugia malayi Integrin alpha pat-2 precursor 0.0149 0.0274 0.061
Loa Loa (eye worm) hypothetical protein 0.0245 0.1097 0.4238
Echinococcus multilocularis enteropeptidase 0.0702 0.4995 0.5484
Loa Loa (eye worm) bone morphogenetic protein 1b 0.0245 0.1097 0.4238
Schistosoma mansoni hypothetical protein 0.042 0.2589 0.2776
Loa Loa (eye worm) hypothetical protein 0.0245 0.1097 0.4238
Loa Loa (eye worm) hypothetical protein 0.0245 0.1097 0.4238

Activities

Activity type Activity value Assay description Source Reference
Inhibitory activity (binding) = 683 nM Inhibitory activity against serine protease chymase was determined ChEMBL. 12467610
Inhibitory activity (binding) = 683 nM Inhibitory activity against serine protease chymase was determined ChEMBL. 12467610

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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