Detailed information for compound 1435215

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 269.27 | Formula: C16H12FNO2
  • H donors: 1 H acceptors: 2 LogP: 2.47 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccccc1Cn1c(=O)cc(c2c1cccc2)O
  • InChi: 1S/C16H12FNO2/c17-13-7-3-1-5-11(13)10-18-14-8-4-2-6-12(14)15(19)9-16(18)20/h1-9,19H,10H2
  • InChiKey: AOPFLEHHPJSBPC-UHFFFAOYSA-N  


Substructure search Similarity search

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
Onchocerca volvulus Protein phosphatase PP2A 55 kDa regulatory subunit homolog 0.0051 0.4323 0.4323
Schistosoma mansoni protein phosphatase 2C 0.007 0.6596 0.6596
Plasmodium falciparum transporter, putative 0.0017 0 0.5
Plasmodium falciparum amino acid transporter, putative 0.0017 0 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0051 0.4323 0.5
Echinococcus multilocularis serotonin transporter 0.0097 1 1
Trypanosoma cruzi protein phosphatase 2A regulatory subunit, putative 0.0051 0.4323 0.5
Schistosoma mansoni protein phosphatase 2C 0.0061 0.5503 0.5503
Loa Loa (eye worm) protein phosphatase 2C containing protein 0.007 0.6596 0.6596
Loa Loa (eye worm) serotonin transporter b 0.0097 1 1
Schistosoma mansoni protein phosphatase 2C 0.0061 0.5503 0.5503
Trypanosoma brucei protein phosphatase 2A regulatory subunit, putative 0.0051 0.4323 0.5
Toxoplasma gondii hypothetical protein 0.0017 0 0.5
Trypanosoma brucei hypothetical protein, conserved 0.0051 0.4323 0.5
Trypanosoma cruzi protein phosphatase 2A regulatory subunit, putative 0.0051 0.4323 0.5
Entamoeba histolytica protein phosphatase regulatory subunit, putative 0.0051 0.4323 0.5
Echinococcus granulosus protein phosphatase 1b 0.0061 0.5503 0.5503
Leishmania major hypothetical protein, conserved 0.0051 0.4323 0.5
Giardia lamblia Protein phosphatase PP2A regulatory subunit B 0.0051 0.4323 0.5
Plasmodium vivax hypothetical protein, conserved 0.0017 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0097 1 1
Loa Loa (eye worm) hypothetical protein 0.0097 1 1
Brugia malayi Protein phosphatase 2C containing protein 0.007 0.6596 0.6596
Treponema pallidum sodium- and chloride- dependent transporter 0.0097 1 0.5
Echinococcus granulosus protein phosphatase pp2a regulatory subunit b 0.0051 0.4323 0.4323
Trypanosoma cruzi hypothetical protein, conserved 0.0051 0.4323 0.5
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0097 1 1
Loa Loa (eye worm) norepinephrine transporter 0.0097 1 1
Toxoplasma gondii hypothetical protein 0.0017 0 0.5
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0017 0 0.5
Loa Loa (eye worm) solute carrier family 6 member 4 0.0097 1 1
Schistosoma mansoni protein phosphatase pp2a regulatory subunit B 0.0051 0.4323 0.4323
Schistosoma mansoni sodium/chloride dependent transporter 0.0097 1 1
Onchocerca volvulus 0.0097 1 1
Echinococcus multilocularis protein phosphatase pp2a regulatory subunit b 0.0051 0.4323 0.4323
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0017 0 0.5
Echinococcus granulosus serotonin transporter 0.0097 1 1
Trichomonas vaginalis protein phosphatase pp2a regulatory subunit B, putative 0.0051 0.4323 0.5
Echinococcus multilocularis protein phosphatase 1b 0.0061 0.5503 0.5503
Echinococcus multilocularis protein phosphatase 1b 0.007 0.6596 0.6596
Echinococcus granulosus protein phosphatase 1b 0.007 0.6596 0.6596
Brugia malayi serine/threonine protein phosphatase 2A 0.0051 0.4323 0.4323
Trichomonas vaginalis serine/threonine-protein phosphatase 2A 55 kDa regulatory subunit B gamma isoform, putative 0.0051 0.4323 0.5
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0017 0 0.5
Leishmania major protein phosphatase 2A regulatory subunit, putative 0.0051 0.4323 0.5
Plasmodium vivax amine transporter, putative 0.0017 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0097 1 1
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0017 0 0.5
Loa Loa (eye worm) serine/threonine protein phosphatase 2A 0.0051 0.4323 0.4323
Trichomonas vaginalis protein phosphatase PP2A regulatory subunit B, putative 0.0051 0.4323 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 13.1154 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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