Detailed information for compound 797804

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 422.836 | Formula: C23H16ClFN2O3
  • H donors: 1 H acceptors: 4 LogP: 4.14 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)C(=O)C1=C(O)C(=O)N(C1c1ccccc1Cl)Cc1cccnc1
  • InChi: 1S/C23H16ClFN2O3/c24-18-6-2-1-5-17(18)20-19(21(28)15-7-9-16(25)10-8-15)22(29)23(30)27(20)13-14-4-3-11-26-12-14/h1-12,20,29H,13H2
  • InChiKey: YMSLOWUKPVKUNE-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
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.0222 0.1646 0.1646
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0222 0.1646 0.1646
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0285 0.0285
Treponema pallidum sodium- and chloride- dependent transporter 0.1305 1 0.5
Loa Loa (eye worm) hypothetical protein 0.1305 1 1
Echinococcus granulosus sodium and chloride dependent glycine 0.0222 0.1646 0.1646
Loa Loa (eye worm) hypothetical protein 0.0222 0.1646 0.1646
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0222 0.1646 0.1646
Loa Loa (eye worm) hypothetical protein 0.0222 0.1646 0.1646
Loa Loa (eye worm) MH2 domain-containing protein 0.0117 0.0844 0.0844
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0222 0.1646 0.1646
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0222 0.1646 0.1646
Loa Loa (eye worm) serotonin transporter b 0.1305 1 1
Brugia malayi MH2 domain containing protein 0.0117 0.0844 0.0844
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0222 0.1646 0.1646
Loa Loa (eye worm) hypothetical protein 0.1305 1 1
Echinococcus multilocularis sodium and chloride dependent glycine 0.0222 0.1646 0.1646
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0222 0.1646 0.1646
Brugia malayi Cytochrome P450 family protein 0.0026 0.0137 0.0137
Loa Loa (eye worm) cytochrome P450 family protein 0.0026 0.0137 0.0137
Echinococcus multilocularis sodium and chloride dependent glycine 0.0222 0.1646 0.1646
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0222 0.1646 0.1646
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0222 0.1646 0.1646
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0285 0.0285
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0285 0.0285
Schistosoma mansoni sodium/chloride dependent transporter 0.1305 1 1
Schistosoma mansoni sodium/chloride dependent transporter 0.0222 0.1646 0.1646
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0222 0.1646 0.5
Schistosoma mansoni sodium-dependent amino acid transporter 0.0222 0.1646 0.1646
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0222 0.1646 0.1646
Schistosoma mansoni sodium/chloride dependent transporter 0.0222 0.1646 0.1646
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0285 0.0285
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0285 0.0285
Onchocerca volvulus 0.1305 1 1
Loa Loa (eye worm) norepinephrine transporter 0.1305 1 1
Plasmodium falciparum amino acid transporter, putative 0.0222 0.1646 0.5
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.1305 1 1
Loa Loa (eye worm) transcription factor SMAD2 0.0117 0.0844 0.0844
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0222 0.1646 0.1646
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0285 0.0285
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0222 0.1646 0.1646
Echinococcus granulosus sodium and chloride dependent glycine 0.0222 0.1646 0.1646
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0222 0.1646 0.1646
Toxoplasma gondii hypothetical protein 0.0222 0.1646 0.5
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0222 0.1646 0.1646
Toxoplasma gondii hypothetical protein 0.0222 0.1646 0.5
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0222 0.1646 0.1646
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0222 0.1646 0.5
Loa Loa (eye worm) solute carrier family 6 member 4 0.1305 1 1
Plasmodium vivax amine transporter, putative 0.0222 0.1646 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0285 0.0285
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0222 0.1646 0.5
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0222 0.1646 0.1646
Loa Loa (eye worm) hypothetical protein 0.0222 0.1646 0.1646
Loa Loa (eye worm) hypothetical protein 0.0222 0.1646 0.1646
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0222 0.1646 0.1646
Loa Loa (eye worm) hypothetical protein 0.0222 0.1646 0.1646
Loa Loa (eye worm) hypothetical protein 0.0222 0.1646 0.1646
Brugia malayi hypothetical protein 0.0222 0.1646 0.1646
Loa Loa (eye worm) hypothetical protein 0.1305 1 1
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0222 0.1646 0.1646
Loa Loa (eye worm) hypothetical protein 0.0222 0.1646 0.1646
Echinococcus multilocularis serotonin transporter 0.1305 1 1
Plasmodium falciparum transporter, putative 0.0222 0.1646 0.5
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0222 0.1646 0.1646
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0222 0.1646 0.5
Plasmodium vivax hypothetical protein, conserved 0.0222 0.1646 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0285 0.0285
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0222 0.1646 0.1646
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0222 0.1646 0.1646
Echinococcus granulosus serotonin transporter 0.1305 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0285 0.0285

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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