Detailed information for compound 888560

Basic information

Technical information
  • TDR Targets ID: 888560
  • Name: 3-(3-iodophenyl)-1-(oxolan-2-ylmethyl)urea
  • MW: 346.164 | Formula: C12H15IN2O2
  • H donors: 2 H acceptors: 1 LogP: 1.98 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1cccc(c1)I)NCC1CCCO1
  • InChi: 1S/C12H15IN2O2/c13-9-3-1-4-10(7-9)15-12(16)14-8-11-5-2-6-17-11/h1,3-4,7,11H,2,5-6,8H2,(H2,14,15,16)
  • InChiKey: QRWDTEAQAQMWTM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-(3-iodophenyl)-1-(tetrahydrofuran-2-ylmethyl)urea
  • 3-(3-iodophenyl)-1-(2-tetrahydrofuranylmethyl)urea
  • 3-(3-iodophenyl)-1-(tetrahydrofurfuryl)urea

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 hypothetical protein 0.017 0.7215 1
Echinococcus multilocularis calpain A 0.0056 0.2121 0.294
Loa Loa (eye worm) calpain 0.002 0.0523 0.0454
Loa Loa (eye worm) POT family protein 0.0124 0.5188 0.5153
Echinococcus granulosus family C2 unassigned peptidase C02 family 0.0056 0.2121 0.294
Loa Loa (eye worm) hypothetical protein 0.0039 0.1382 0.1319
Echinococcus granulosus geminin 0.017 0.7215 1
Trypanosoma brucei calpain-like protein, putative 0.002 0.0523 1
Echinococcus multilocularis FTZ F1 alpha 0.001 0.0073 0.0101
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0462 0.0392
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0462 1
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0057 0.2184 0.3028
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0057 0.2184 0.928
Echinococcus granulosus calpain 0.002 0.0523 0.0726
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.0073 0.0101
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0.0462 0.5
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0462 0.064
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.002 0.0523 1
Trypanosoma brucei antigen, putative 0.002 0.0523 1
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0462 0.7718
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0126 0.5246 0.7272
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) 0.0056 0.2121 0.294
Loa Loa (eye worm) hypothetical protein 0.0047 0.1742 0.1681
Echinococcus multilocularis calpain 7 (C02 family) 0.002 0.0523 0.0726
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0462 1
Leishmania major hypothetical protein, conserved 0.0014 0.026 0.0038
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0462 0.5
Schistosoma mansoni coup transcription factor 0.001 0.0073 0.0101
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.001 0.0073 0.0101
Trypanosoma brucei calpain-like protein, putative 0.002 0.0523 1
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.002 0.0523 1
Toxoplasma gondii aldehyde dehydrogenase 0.0061 0.2334 1
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.002 0.0523 1
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0053 0.2013 0.279
Echinococcus multilocularis thyroid hormone receptor alpha 0.0136 0.5698 0.7898
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.002 0.0523 0.1303
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0462 0.0392
Echinococcus granulosus FTZ F1 alpha 0.001 0.0073 0.0101
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0462 0.1005
Trypanosoma brucei cysteine peptidase, Clan CA, family C2, putative 0.002 0.0523 1
Echinococcus granulosus calpain A 0.0056 0.2121 0.294
Brugia malayi calpain 7 0.002 0.0523 0.0454
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.001 0.0073 0.0101
Onchocerca volvulus 0.0033 0.1111 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0061 0.2334 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.0073 0.0101
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.002 0.0523 1
Schistosoma mansoni hypothetical protein 0.017 0.7215 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.0073 0.0101
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0056 0.2121 0.294
Brugia malayi POT family protein 0.0124 0.5188 0.5153
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.002 0.0523 1
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.002 0.0523 1
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.002 0.0523 0.1303
Plasmodium vivax calpain, putative 0.002 0.0523 1
Schistosoma mansoni calpain C (C02 family) 0.002 0.0523 0.0726
Echinococcus multilocularis calpain 0.002 0.0523 0.0726
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0.0462 1
Schistosoma mansoni nuclear hormone receptor 0.001 0.0073 0.0101
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0073 0.0101
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.001 0.0073 0.0101
Schistosoma mansoni ap endonuclease 0.0019 0.0462 0.064
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.0073 0.0101
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.2334 1
Echinococcus granulosus ecdysone induced protein 78C 0.001 0.0073 0.0101
Loa Loa (eye worm) cytochrome P450 family protein 0.0045 0.1643 0.1581
Schistosoma mansoni ap endonuclease 0.0019 0.0462 0.064
Echinococcus multilocularis ecdysone induced protein 78C 0.001 0.0073 0.0101
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.2334 0.3236
Brugia malayi calpain 5 0.0014 0.0252 0.0181
Echinococcus multilocularis calpain 5 0.002 0.0523 0.0726
Echinococcus granulosus calpain A 0.002 0.0523 0.0726
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.0073 0.0101
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0061 0.2334 1
Trypanosoma brucei calpain-like protein, putative 0.002 0.0523 1
Trypanosoma cruzi calpain cysteine peptidase, putative 0.002 0.0523 1
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0462 1
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0057 0.2184 0.2127
Schistosoma mansoni Mername-AA248 (C02 family) 0.002 0.0523 0.0726
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.002 0.0523 1
Loa Loa (eye worm) calpain family protein 1 0.0053 0.2013 0.1954
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0057 0.2184 0.9358
Schistosoma mansoni calpain-7 (C02 family) 0.002 0.0523 0.0726
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.2334 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0073 0.0101
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.002 0.0523 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.2013 0.1954
Trypanosoma cruzi hypothetical protein, conserved 0.0014 0.026 0.0294
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0061 0.2334 0.3236
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.0462 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.001 0.0073 0.0101
Brugia malayi calpain family protein 1 0.0053 0.2013 0.1954
Schistosoma mansoni calpain (C02 family) 0.002 0.0523 0.0726
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.001 0.0073 0.0101
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.002 0.0523 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.1111 0.1046
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0462 0.7718
Echinococcus multilocularis hypothetical protein 0.002 0.0523 0.0726
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.002 0.0523 1
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0126 0.5246 0.7272
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.2334 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0462 0.064
Brugia malayi Cytochrome P450 family protein 0.0045 0.1643 0.1581
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0057 0.2184 0.9358
Echinococcus granulosus calpain 7 C02 family 0.002 0.0523 0.0726
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0073 0.0101
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.001 0.0073 0.0101
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0462 0.7718
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0057 0.2184 0.3028
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0073 0.0101
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0056 0.2121 0.294
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.001 0.0073 0.0101
Echinococcus multilocularis geminin 0.017 0.7215 1
Echinococcus multilocularis calpain family protein 1, d 0.0039 0.1382 0.1916
Schistosoma mansoni thyroid hormone receptor 0.0136 0.5698 0.7898
Schistosoma mansoni calpain-7 (C02 family) 0.002 0.0523 0.0726
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.0073 0.0101
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.001 0.0073 0.0101
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.0073 0.0101
Schistosoma mansoni hypothetical protein 0.0126 0.5246 0.7272
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.0073 0.0101
Loa Loa (eye worm) calpain family protein 1 0.0039 0.1382 0.1319
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0232 1 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0.0073 0.0101
Brugia malayi calpain family protein 1 0.0053 0.2013 0.1954
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0057 0.2184 0.9358
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0053 0.2012 0.1953
Schistosoma mansoni thyroid hormone receptor 0.0136 0.5698 0.7898
Trypanosoma brucei calpain-like protein, putative 0.002 0.0523 1
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0.0462 0.1977
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0057 0.2184 0.3028
Mycobacterium leprae PROBABLE BACTERIOFERRITIN BFRA 0.0008 0 0.5
Leishmania major calpain, putative,cysteine peptidase, Clan CA, family C2, putative 0.002 0.0523 0.1303
Loa Loa (eye worm) calpain 5 0.0014 0.0252 0.0181
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0061 0.2334 0.3236
Trypanosoma cruzi hypothetical protein, conserved 0.0014 0.026 0.0294
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.0462 0.1977
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.2334 0.3236
Echinococcus granulosus calpain 5 0.002 0.0523 0.0726
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.001 0.0073 0.0101

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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