Detailed information for compound 2072850

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 388.37 | Formula: C19H19FN4O4
  • H donors: 3 H acceptors: 4 LogP: 1.74 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCc1[nH]c2c(c1)c(F)c(cc2)Oc1n[14cH]nn2c1c(C)c(c2)OC[C@H](O)C
  • InChi: 1S/C19H19FN4O4/c1-10(26)8-27-16-6-24-18(11(16)2)19(21-9-22-24)28-15-4-3-14-13(17(15)20)5-12(7-25)23-14/h3-6,9-10,23,25-26H,7-8H2,1-2H3/t10-/m1/s1/i9+2
  • InChiKey: NRYXTTFKQXSWLA-MBDBZQQCSA-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
Plasmodium vivax amine transporter, putative 0.0121 0.1393 0.5
Echinococcus multilocularis sodium and chloride dependent glycine 0.0121 0.1393 0.1393
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0121 0.1393 0.1393
Brugia malayi Immunoglobulin I-set domain containing protein 0.0198 0.2501 0.2501
Echinococcus granulosus fibroblast growth factor receptor 4 0.0121 0.1391 0.1391
Loa Loa (eye worm) hypothetical protein 0.0029 0.0053 0.0053
Schistosoma mansoni nephrin 0.0032 0.0094 0.0094
Echinococcus granulosus sodium and chloride dependent glycine 0.0121 0.1393 0.1393
Schistosoma mansoni sodium/chloride dependent transporter 0.0121 0.1393 0.1393
Echinococcus granulosus basic fibroblast growth factor receptor 1 A 0.0121 0.1391 0.1391
Onchocerca volvulus Tyrosine kinase homolog 0.0175 0.2175 0.0908
Schistosoma mansoni tyrosine kinase 0.0121 0.1391 0.1391
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0121 0.1393 0.1393
Schistosoma mansoni sodium-dependent amino acid transporter 0.0121 0.1393 0.1393
Toxoplasma gondii hypothetical protein 0.0121 0.1393 0.5
Loa Loa (eye worm) serotonin transporter b 0.0716 1 1
Onchocerca volvulus 0.0716 1 1
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0198 0.2501 0.2501
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0716 1 1
Schistosoma mansoni cell adhesion molecule 0.0029 0.0053 0.0053
Loa Loa (eye worm) hypothetical protein 0.0716 1 1
Echinococcus multilocularis sodium and chloride dependent glycine 0.0121 0.1393 0.1393
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0121 0.1393 0.1393
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0121 0.1393 0.1393
Loa Loa (eye worm) solute carrier family 6 member 4 0.0716 1 1
Loa Loa (eye worm) hypothetical protein 0.0121 0.1393 0.1393
Echinococcus granulosus sodium and chloride dependent glycine 0.0121 0.1393 0.1393
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0121 0.1393 0.1393
Treponema pallidum sodium- and chloride- dependent transporter 0.0716 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0121 0.1393 0.1393
Loa Loa (eye worm) hypothetical protein 0.0121 0.1393 0.1393
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0121 0.1393 0.1393
Brugia malayi Immunoglobulin I-set domain containing protein 0.0128 0.1485 0.1485
Echinococcus granulosus serotonin transporter 0.0716 1 1
Echinococcus granulosus neuroglian 0.0032 0.0094 0.0094
Loa Loa (eye worm) hypothetical protein 0.0121 0.1393 0.1393
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0121 0.1393 0.1393
Plasmodium vivax hypothetical protein, conserved 0.0121 0.1393 0.5
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0121 0.1393 0.1393
Echinococcus multilocularis roundabout 2 0.0035 0.0147 0.0147
Echinococcus multilocularis zinc finger transcription factor gli2 0.0375 0.5065 0.5065
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.0121 0.1393 0.1393
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0121 0.1393 0.1393
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0121 0.1393 0.5
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0121 0.1393 0.1393
Loa Loa (eye worm) hypothetical protein 0.0035 0.0147 0.0147
Schistosoma mansoni sodium/chloride dependent transporter 0.0121 0.1393 0.1393
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0121 0.1393 0.1393
Loa Loa (eye worm) hypothetical protein 0.0121 0.1393 0.1393
Loa Loa (eye worm) hypothetical protein 0.0121 0.1393 0.1393
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0121 0.1393 0.5
Loa Loa (eye worm) hypothetical protein 0.0035 0.0147 0.0147
Echinococcus granulosus twitchin 0.0032 0.0094 0.0094
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0121 0.1393 0.1393
Brugia malayi Zinc finger, C2H2 type family protein 0.0375 0.5065 0.5065
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0121 0.1393 0.1393
Loa Loa (eye worm) hypothetical protein 0.0716 1 1
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0029 0.0053 0.0053
Loa Loa (eye worm) zinc finger protein 0.0375 0.5065 0.5065
Loa Loa (eye worm) TK protein kinase 0.0128 0.1485 0.1485
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0121 0.1393 0.1393
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0121 0.1393 0.1393
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0121 0.1393 0.1393
Echinococcus multilocularis neuroglian 0.0032 0.0094 0.0094
Onchocerca volvulus 0.0167 0.2048 0.076
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0121 0.1393 0.1393
Loa Loa (eye worm) hypothetical protein 0.0716 1 1
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0121 0.1393 0.5
Loa Loa (eye worm) hypothetical protein 0.0121 0.1393 0.1393
Echinococcus multilocularis serotonin transporter 0.0716 1 1
Plasmodium falciparum amino acid transporter, putative 0.0121 0.1393 0.5
Echinococcus granulosus roundabout 2 0.0035 0.0147 0.0147
Schistosoma mansoni sodium/chloride dependent transporter 0.0716 1 1
Brugia malayi hypothetical protein 0.0121 0.1393 0.1393
Echinococcus multilocularis fibroblast growth factor receptor 4 0.0121 0.1391 0.1391
Echinococcus multilocularis basic fibroblast growth factor receptor 1 A 0.0121 0.1391 0.1391
Loa Loa (eye worm) norepinephrine transporter 0.0716 1 1
Toxoplasma gondii hypothetical protein 0.0121 0.1393 0.5
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0121 0.1393 0.1393
Echinococcus granulosus zinc finger transcription factor gli2 0.0375 0.5065 0.5065
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0121 0.1393 0.1393
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0121 0.1393 0.5
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0121 0.1393 0.1393
Plasmodium falciparum transporter, putative 0.0121 0.1393 0.5

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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