Detailed information for compound 275116

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 379.149 | Formula: C15H10INO3
  • H donors: 0 H acceptors: 1 LogP: 3.55 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc2c(c1)nc(oc2=O)c1ccccc1I
  • InChi: 1S/C15H10INO3/c1-19-9-6-7-11-13(8-9)17-14(20-15(11)18)10-4-2-3-5-12(10)16/h2-8H,1H3
  • InChiKey: NILYLHQSDMPILV-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
Loa Loa (eye worm) hypothetical protein 0.0455 0.0783 0.0791
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0455 0.0783 0.0783
Loa Loa (eye worm) trypsin family protein 0.0455 0.0783 0.0791
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0455 0.0783 0.0783
Schistosoma mansoni cercarial elastase (S01 family) 0.0455 0.0783 0.0783
Loa Loa (eye worm) hypothetical protein 0.0455 0.0783 0.0791
Toxoplasma gondii PAN domain-containing protein 0.267 0.7377 1
Echinococcus multilocularis Mastin 0.0455 0.0783 0.3102
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0455 0.0783 0.0783
Echinococcus multilocularis tissue type plasminogen activator 0.1041 0.2526 1
Echinococcus granulosus tissue type plasminogen activator 0.1041 0.2526 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0455 0.0783 0.0783
Loa Loa (eye worm) hypothetical protein 0.0455 0.0783 0.0791
Echinococcus granulosus Mastin 0.0455 0.0783 0.3102
Brugia malayi Trypsin family protein 0.3519 0.9905 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0472 0.0832 0.0832
Echinococcus multilocularis subfamily S1A unassigned peptidase (S01 family) 0.0455 0.0783 0.3102
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.3519 0.9905 0.9905
Schistosoma mansoni hypothetical protein 0.0455 0.0783 0.0783
Leishmania major hypothetical protein, conserved 0.1041 0.2526 0.5
Loa Loa (eye worm) hypothetical protein 0.1041 0.2526 0.255
Echinococcus multilocularis glycoprotein Antigen 5 0.0455 0.0783 0.3102
Echinococcus granulosus subfamily S1A unassigned peptidase S01 family 0.0455 0.0783 0.3102
Onchocerca volvulus 0.3064 0.8549 0.8514
Onchocerca volvulus 0.3519 0.9905 1
Loa Loa (eye worm) hypothetical protein 0.0455 0.0783 0.0791
Echinococcus granulosus glycoprotein Antigen 5 0.0455 0.0783 0.3102
Schistosoma mansoni cercarial elastase (S01 family) 0.0455 0.0783 0.0783
Echinococcus granulosus enteropeptidase 0.0455 0.0783 0.3102
Loa Loa (eye worm) hypothetical protein 0.3519 0.9905 1
Onchocerca volvulus 0.1041 0.2526 0.191
Loa Loa (eye worm) hypothetical protein 0.3519 0.9905 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0455 0.0783 0.0783
Toxoplasma gondii PAN domain-containing protein 0.267 0.7377 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0455 0.0783 0.0783
Schistosoma mansoni cercarial elastase (S01 family) 0.0455 0.0783 0.0783
Schistosoma mansoni cercarial elastase (S01 family) 0.0455 0.0783 0.0783
Plasmodium vivax cysteine repeat modular protein 1, putative 0.1041 0.2526 0.5
Schistosoma mansoni cercarial elastase (S01 family) 0.0455 0.0783 0.0783
Echinococcus multilocularis Peptidase S1 S6, chymotrypsin Hap 0.0455 0.0783 0.3102
Loa Loa (eye worm) hypothetical protein 0.0208 0.0047 0.0048
Echinococcus multilocularis transmembrane protease serine 3 0.0455 0.0783 0.3102
Echinococcus granulosus transmembrane protease serine 3 0.0455 0.0783 0.3102
Schistosoma mansoni hypothetical protein 0.0455 0.0783 0.0783
Schistosoma mansoni cercarial elastase (S01 family) 0.0455 0.0783 0.0783
Trypanosoma cruzi hypothetical protein, conserved 0.1041 0.2526 0.5
Plasmodium falciparum cysteine repeat modular protein 1 0.1041 0.2526 0.5
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0455 0.0783 0.0783
Brugia malayi Protein kinase domain containing protein 0.1041 0.2526 0.191
Echinococcus granulosus Peptidase S1 S6 chymotrypsin Hap 0.0455 0.0783 0.3102
Loa Loa (eye worm) TK/ROR protein kinase 0.1041 0.2526 0.255
Schistosoma mansoni cercarial elastase (S01 family) 0.0455 0.0783 0.0783
Echinococcus multilocularis enteropeptidase 0.0455 0.0783 0.3102
Schistosoma mansoni cercarial elastase (S01 family) 0.0455 0.0783 0.0783
Schistosoma mansoni cercarial elastase (S01 family) 0.0455 0.0783 0.0783
Mycobacterium ulcerans hypothetical protein 0.0455 0.0783 0.5
Schistosoma mansoni hypothetical protein 0.1041 0.2526 0.2526
Loa Loa (eye worm) hypothetical protein 0.0455 0.0783 0.0791
Brugia malayi Kringle domain containing protein 0.1041 0.2526 0.191

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 62.5 uM Inhibitory activity against C1r serine protease ChEMBL. No reference
IC50 (binding) > 62.5 uM Inhibitory activity against C1r serine protease ChEMBL. No reference
Inhibition (binding) = 27 % Compound was evaluated for percentage inhibitory activity against C1r serine protease in assay 1 at a concentration of 10 uM ChEMBL. No reference
Inhibition (binding) = 27 % Compound was evaluated for percentage inhibitory activity against C1r serine protease in assay 1 at a concentration of 10 uM ChEMBL. No reference

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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