Detailed information for compound 1457722

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 463.433 | Formula: C25H19F2N3O4
  • H donors: 1 H acceptors: 4 LogP: 3.39 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN(C(=O)c1ccc(cc1)N1C(=O)c2c(C1=O)cccc2)CC(=O)Nc1c(F)cccc1F
  • InChi: 1S/C25H19F2N3O4/c1-2-29(14-21(31)28-22-19(26)8-5-9-20(22)27)23(32)15-10-12-16(13-11-15)30-24(33)17-6-3-4-7-18(17)25(30)34/h3-13H,2,14H2,1H3,(H,28,31)
  • InChiKey: MWLMOXBKFOOJFP-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
Echinococcus granulosus tar DNA binding protein 0.0204 0.2698 0.9007
Schistosoma mansoni tar DNA-binding protein 0.0204 0.2698 0.3991
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.0135 1
Brugia malayi N-terminal motif family protein 0.0198 0.262 0.262
Brugia malayi RNA recognition motif domain containing protein 0.0204 0.2698 0.2698
Loa Loa (eye worm) glutaminase 0.0312 0.4264 0.4263
Schistosoma mansoni hypothetical protein 0.0224 0.2996 0.4431
Loa Loa (eye worm) TAR-binding protein 0.0204 0.2698 0.2697
Leishmania major hypothetical protein, conserved 0.0026 0.0135 1
Loa Loa (eye worm) RNA binding protein 0.0204 0.2698 0.2697
Mycobacterium ulcerans glutaminase 0.0312 0.4264 0.5
Brugia malayi hypothetical protein 0.0026 0.0135 0.0135
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0224 0.2996 1
Schistosoma mansoni hypothetical protein 0.0224 0.2996 0.4431
Brugia malayi TAR-binding protein 0.0204 0.2698 0.2698
Brugia malayi Isocitrate dehydrogenase 0.0017 0.0002 0.0002
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0204 0.2698 0.2697
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0224 0.2996 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0709 1 1
Brugia malayi isocitrate dehydrogenase 0.0017 0.0002 0.0002
Loa Loa (eye worm) hypothetical protein 0.0485 0.6758 0.6757
Schistosoma mansoni hypothetical protein 0.0485 0.6758 1
Schistosoma mansoni tar DNA-binding protein 0.0204 0.2698 0.3991
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0224 0.2996 1
Brugia malayi Latrophilin receptor protein 2 0.0224 0.2996 0.2996
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0198 0.262 0.5
Schistosoma mansoni glutaminase 0.0312 0.4264 0.6309
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0224 0.2996 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0135 0.0133
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0017 0.0002 0.5
Schistosoma mansoni tar DNA-binding protein 0.0204 0.2698 0.3991
Echinococcus multilocularis GPCR, family 2 0.0224 0.2996 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0224 0.2996 0.2996
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0135 1
Echinococcus granulosus GPCR family 2 0.0224 0.2996 1
Toxoplasma gondii LsmAD domain-containing protein 0.0026 0.0135 1
Schistosoma mansoni tar DNA-binding protein 0.0204 0.2698 0.3991
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0135 1
Schistosoma mansoni hypothetical protein 0.0224 0.2996 0.4431
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0135 1
Trichomonas vaginalis glutaminase, putative 0.0312 0.4264 0.5
Loa Loa (eye worm) hypothetical protein 0.0198 0.262 0.2618
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0.0135 1
Schistosoma mansoni tar DNA-binding protein 0.0204 0.2698 0.3991
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0135 1
Brugia malayi latrophilin 2 splice variant baaae 0.0485 0.6758 0.6758
Echinococcus multilocularis tar DNA binding protein 0.0204 0.2698 0.9007
Loa Loa (eye worm) hypothetical protein 0.0224 0.2996 0.2994
Brugia malayi RNA binding protein 0.0204 0.2698 0.2698
Schistosoma mansoni hypothetical protein 0.0224 0.2996 0.4431
Loa Loa (eye worm) hypothetical protein 0.0709 1 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0709 1 1
Loa Loa (eye worm) glutaminase 2 0.0312 0.4264 0.4263
Brugia malayi glutaminase DH11.1 0.0312 0.4264 0.4264
Loa Loa (eye worm) latrophilin receptor protein 2 0.0224 0.2996 0.2994

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. qHTS for Agonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) = 89.1251 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference

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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