Detailed information for compound 411859

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 378.137 | Formula: C14H9IN2O3
  • H donors: 3 H acceptors: 3 LogP: 2.29 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1ccc(c(c1)O)c1nc2ccc(cc2c(=O)[nH]1)[125I]
  • InChi: 1S/C14H9IN2O3/c15-7-1-4-11-10(5-7)14(20)17-13(16-11)9-3-2-8(18)6-12(9)19/h1-6,18-19H,(H,16,17,20)/i15-2
  • InChiKey: YLINVTWHWIOHEH-VLPIPSKASA-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
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0617 0.1501 0.1501
Plasmodium vivax hypothetical protein, conserved 0.0617 0.1501 1
Echinococcus granulosus sodium and chloride dependent glycine 0.0617 0.1501 0.1413
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0617 0.1501 1
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0617 0.1501 0.1413
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.3637 1 1
Brugia malayi ERG2 and Sigma1 receptor like protein 0.0376 0.0822 0.0733
Schistosoma mansoni sodium/chloride dependent transporter 0.3637 1 1
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0617 0.1501 0.1418
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0617 0.1501 0.1501
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0617 0.1501 0.1501
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0617 0.1501 0.1413
Brugia malayi NNMT/PNMT/TEMT family protein 0.0272 0.0528 0.0436
Onchocerca volvulus 0.0617 0.1501 0.0952
Loa Loa (eye worm) hypothetical protein 0.0617 0.1501 0.1418
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.0617 0.1501 0.1413
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0617 0.1501 0.1418
Schistosoma mansoni hypothetical protein 0.0168 0.0236 0.0236
Echinococcus multilocularis expressed protein 0.0381 0.0837 0.0742
Loa Loa (eye worm) serotonin transporter b 0.3637 1 1
Loa Loa (eye worm) hypothetical protein 0.0192 0.0304 0.021
Echinococcus granulosus kinesin family 1 0.1557 0.4147 0.4086
Echinococcus granulosus expressed protein 0.0381 0.0837 0.0742
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0617 0.1501 0.1501
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0617 0.1501 0.1418
Schistosoma mansoni sodium/chloride dependent transporter 0.0617 0.1501 0.1501
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0617 0.1501 0.1501
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0617 0.1501 0.1413
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0376 0.0822 0.5
Loa Loa (eye worm) hypothetical protein 0.0272 0.0528 0.0436
Echinococcus multilocularis kinesin family 1 0.1557 0.4147 0.4086
Onchocerca volvulus 0.0617 0.1501 0.0952
Echinococcus multilocularis geminin 0.0168 0.0236 0.0135
Onchocerca volvulus 0.3637 1 1
Brugia malayi Kinesin motor domain containing protein 0.0202 0.0332 0.0239
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0617 0.1501 0.1501
Loa Loa (eye worm) hypothetical protein 0.0617 0.1501 0.1418
Entamoeba histolytica kinesin, putative 0.0202 0.0332 0.5
Echinococcus multilocularis sodium and chloride dependent glycine 0.0617 0.1501 0.1413
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0617 0.1501 0.1501
Brugia malayi hypothetical protein 0.03 0.0606 0.0515
Loa Loa (eye worm) NNMT/PNMT/TEMT family protein 0.0272 0.0528 0.0436
Plasmodium falciparum transporter, putative 0.0617 0.1501 1
Echinococcus granulosus geminin 0.0168 0.0236 0.0135
Plasmodium vivax amine transporter, putative 0.0617 0.1501 1
Treponema pallidum sodium- and chloride- dependent transporter 0.3637 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0617 0.1501 0.1418
Schistosoma mansoni sodium-dependent amino acid transporter 0.0617 0.1501 0.1501
Loa Loa (eye worm) hypothetical protein 0.0617 0.1501 0.1418
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0617 0.1501 0.1413
Schistosoma mansoni hypothetical protein 0.0168 0.0236 0.0236
Leishmania major C-8 sterol isomerase-like protein 0.0376 0.0822 0.5
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0617 0.1501 0.1501
Loa Loa (eye worm) hypothetical protein 0.0272 0.0528 0.0436
Plasmodium falciparum amino acid transporter, putative 0.0617 0.1501 1
Loa Loa (eye worm) norepinephrine transporter 0.3637 1 1
Schistosoma mansoni lipoxygenase 0.0121 0.0102 0.0102
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0617 0.1501 0.1418
Loa Loa (eye worm) hypothetical protein 0.0617 0.1501 0.1418
Loa Loa (eye worm) hypothetical protein 0.3637 1 1
Schistosoma mansoni sodium/chloride dependent transporter 0.0617 0.1501 0.1501
Echinococcus multilocularis serotonin transporter 0.3637 1 1
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0617 0.1501 0.1418
Loa Loa (eye worm) hypothetical protein 0.3637 1 1
Loa Loa (eye worm) hypothetical protein 0.0376 0.0822 0.0733
Toxoplasma gondii hypothetical protein 0.0617 0.1501 1
Schistosoma mansoni hypothetical protein 0.1355 0.3577 0.3577
Loa Loa (eye worm) hypothetical protein 0.3637 1 1
Echinococcus multilocularis sodium and chloride dependent glycine 0.0617 0.1501 0.1413
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0804 0.2026 0.1943
Onchocerca volvulus 0.0617 0.1501 0.0952
Loa Loa (eye worm) solute carrier family 6 member 4 0.3637 1 1
Loa Loa (eye worm) hypothetical protein 0.0617 0.1501 0.1418
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0617 0.1501 1
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0617 0.1501 0.1418
Loa Loa (eye worm) hypothetical protein 0.0617 0.1501 0.1418
Giardia lamblia Kinesin-5 0.0202 0.0332 0.5
Brugia malayi hypothetical protein 0.0617 0.1501 0.1418
Trypanosoma brucei C-8 sterol isomerase, putative 0.0376 0.0822 0.5
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0617 0.1501 1
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0617 0.1501 0.1413
Loa Loa (eye worm) hypothetical protein 0.03 0.0606 0.0515
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0617 0.1501 0.5
Toxoplasma gondii hypothetical protein 0.0617 0.1501 1
Schistosoma mansoni kinesin eg-5 0.0202 0.0332 0.0332
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0617 0.1501 0.1413
Echinococcus granulosus serotonin transporter 0.3637 1 1
Echinococcus granulosus sodium and chloride dependent glycine 0.0617 0.1501 0.1413
Loa Loa (eye worm) kinesin-like protein KLP2 0.0202 0.0332 0.0239

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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