Detailed information for compound 1084493

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 369.154 | Formula: C14H12INO3
  • H donors: 2 H acceptors: 2 LogP: 3.57 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)NC(=O)c1cc(I)ccc1O
  • InChi: 1S/C14H12INO3/c1-19-11-5-3-10(4-6-11)16-14(18)12-8-9(15)2-7-13(12)17/h2-8,17H,1H3,(H,16,18)
  • InChiKey: WJUFTZFAQYHROG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

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 Cytochrome P450 family protein 0.0026 0.0055 0.0055
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0113 0.1198 1
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase isozyme 0.0033 0.0156 0.056
Brugia malayi Cytochrome P450 family protein 0.0059 0.049 0.049
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0036 0.0189 0.5
Schistosoma mansoni family C12 unassigned peptidase (C12 family) 0.0033 0.0156 0.0587
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0036 0.0189 0.5
Trichomonas vaginalis inositol monophosphatase, putative 0.004 0.0244 0.0846
Schistosoma mansoni hypothetical protein 0.0035 0.0177 0.0663
Loa Loa (eye worm) cytochrome P450 family protein 0.0026 0.0055 0.0055
Echinococcus multilocularis CREB binding protein 0.0037 0.02 0.0715
Echinococcus granulosus mitogen activated protein kinase 3 0.0113 0.1198 0.4292
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase BAP1 0.0033 0.0156 0.056
Loa Loa (eye worm) CBP-B 0.0156 0.1764 0.1764
Trichomonas vaginalis CMGC family protein kinase 0.0113 0.1198 1
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase isozyme 0.0033 0.0156 0.056
Loa Loa (eye worm) ubiquitin C-terminal hydrolase UCH-L5 0.0033 0.0156 0.0156
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0033 0.0156 0.0883
Leishmania major ubiquitin carboxyl-terminal hydrolase, putative,cysteine peptidase, Clan CA, family C12, putative 0.0033 0.0156 0.0883
Schistosoma mansoni family C12 unassigned peptidase (C12 family) 0.0033 0.0156 0.0587
Echinococcus granulosus geminin 0.0191 0.2222 0.7959
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0113 0.1198 1
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.004 0.0244 0.5
Brugia malayi TAZ zinc finger family protein 0.0224 0.2664 0.2664
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase BAP1 0.0033 0.0156 0.056
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.004 0.0244 0.1655
Schistosoma mansoni hypothetical protein 0.0191 0.2222 0.8341
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.004 0.0244 0.0846
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.004 0.0244 0.1655
Trichomonas vaginalis myo inositol monophosphatase, putative 0.004 0.0244 0.0846
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase isozyme 0.0033 0.0156 0.056
Loa Loa (eye worm) hypothetical protein 0.0105 0.11 0.11
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.004 0.0244 0.1655
Trichomonas vaginalis CMGC family protein kinase 0.0113 0.1198 1
Schistosoma mansoni inositol monophosphatase 0.004 0.0244 0.0917
Echinococcus multilocularis geminin 0.0191 0.2222 0.7959
Loa Loa (eye worm) hypothetical protein 0.0051 0.039 0.039
Plasmodium falciparum deubiquinating/deneddylating enzyme 0.0033 0.0156 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.039 0.039
Loa Loa (eye worm) transcription factor SMAD2 0.0121 0.1306 0.1306
Echinococcus granulosus inositol monophosphatase 1 0.004 0.0244 0.0876
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0113 0.1198 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0782 1 1
Brugia malayi Cytochrome P450 family protein 0.0026 0.0055 0.0055
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0113 0.1198 1
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase isozyme 0.0033 0.0156 0.056
Loa Loa (eye worm) inositol-1 0.004 0.0244 0.0244
Entamoeba histolytica myo-inositol monophosphatase, putative 0.004 0.0244 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0059 0.049 0.049
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0113 0.1198 1
Echinococcus multilocularis mitogen activated protein kinase 3 0.0113 0.1198 0.4292
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0177 0.0177
Giardia lamblia Kinase, CMGC MAPK 0.0113 0.1198 0.5
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0033 0.0156 0.0883
Echinococcus multilocularis CREB binding protein 0.0037 0.02 0.0715
Echinococcus granulosus mitogen activated protein kinase 0.0113 0.1198 0.4292
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0113 0.1198 1
Schistosoma mansoni survival motor neuron protein 0.0048 0.0344 0.129
Loa Loa (eye worm) hypothetical protein 0.0033 0.0156 0.0156
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0113 0.1198 0.1198
Schistosoma mansoni hypothetical protein 0.0191 0.2222 0.8341
Leishmania major ubiquitin carboxyl-terminal hydrolase, putative,cysteine peptidase, Clan CA, family C12, putative 0.0033 0.0156 0.0883
Loa Loa (eye worm) MH2 domain-containing protein 0.0121 0.1306 0.1306
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0033 0.0156 0.0883
Schistosoma mansoni family C12 unassigned peptidase (C12 family) 0.0033 0.0156 0.0587
Brugia malayi MH2 domain containing protein 0.0121 0.1306 0.1306
Schistosoma mansoni hypothetical protein 0.0048 0.0344 0.129
Schistosoma mansoni ubiquitinyl hydrolase-BAP1 (C12 family) 0.0033 0.0156 0.0587
Plasmodium vivax ubiquitin C-terminal hydrolase, family 1, putative 0.0033 0.0156 0.5
Trichomonas vaginalis CMGC family protein kinase 0.0113 0.1198 1
Schistosoma mansoni CREB-binding protein 2 0.0224 0.2664 1
Schistosoma mansoni ubiquitinyl hydrolase-UCH37 (C12 family) 0.0033 0.0156 0.0587
Echinococcus multilocularis inositol monophosphatase 1 0.004 0.0244 0.0876
Trichomonas vaginalis CMGC family protein kinase 0.0113 0.1198 1
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase isozyme 0.0033 0.0156 0.056
Loa Loa (eye worm) CYP4Cod1 0.0026 0.0055 0.0055
Echinococcus multilocularis CREB binding protein 0.0037 0.02 0.0715
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.004 0.0244 1
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0048 0.0344 0.0344
Echinococcus granulosus CREB binding protein 0.0224 0.2664 0.9543
Trichomonas vaginalis myo inositol monophosphatase, putative 0.004 0.0244 0.0846
Loa Loa (eye worm) hypothetical protein 0.0234 0.2792 0.2792
Echinococcus multilocularis survival motor neuron protein 1 0.0234 0.2792 1
Brugia malayi Inositol-1 0.004 0.0244 0.0244
Echinococcus granulosus CREB binding protein 0.0037 0.02 0.0715
Onchocerca volvulus 0.0048 0.0344 1
Schistosoma mansoni CREB-binding protein 1 (SmCBP1) 0.0224 0.2664 1
Echinococcus multilocularis CREB binding protein 0.0154 0.1738 0.6225
Brugia malayi Ubiquitin carboxyl-terminal hydrolase, family 1 protein 0.0033 0.0156 0.0156
Echinococcus granulosus CREB binding protein 0.0138 0.1535 0.5496
Loa Loa (eye worm) cytochrome P450 family protein 0.0026 0.0055 0.0055
Trypanosoma brucei protein kinase, putative 0.0113 0.1198 1
Schistosoma mansoni ubiquitinyl hydrolase-UCH37 (C12 family) 0.0033 0.0156 0.0587
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.039 0.039
Echinococcus granulosus survival motor neuron protein 1 0.0234 0.2792 1
Schistosoma mansoni serine/threonine protein kinase 0.0113 0.1198 0.4498
Plasmodium falciparum ubiquitin carboxyl-terminal hydrolase isozyme L3 0.0033 0.0156 0.5
Plasmodium vivax ubiquitin carboxyl-terminal hydrolase isozyme L3, putative 0.0033 0.0156 0.5
Brugia malayi MAP kinase sur-1 0.0113 0.1198 0.1198
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.004 0.0244 0.1655
Echinococcus granulosus CREB binding protein 0.0037 0.02 0.0715
Schistosoma mansoni inositol monophosphatase 0.004 0.0244 0.0917
Echinococcus multilocularis mitogen activated protein kinase 0.0113 0.1198 0.4292
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0033 0.0156 0.0883
Brugia malayi hypothetical protein 0.0234 0.2792 0.2792
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0113 0.1198 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0113 0.1198 1
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0033 0.0156 0.0883
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.039 0.039
Loa Loa (eye worm) hypothetical protein 0.0035 0.0177 0.0177
Brugia malayi ubiquitin C-terminal hydrolase UCH-L5 0.0033 0.0156 0.0156

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.