Detailed information for compound 1475642

Basic information

Technical information
  • TDR Targets ID: 1475642
  • Name: 2-[(3-fluorophenyl)amino]pyridine-3-carboxami de
  • MW: 231.226 | Formula: C12H10FN3O
  • H donors: 2 H acceptors: 2 LogP: 2.26 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1cccc(c1)Nc1ncccc1C(=O)N
  • InChi: 1S/C12H10FN3O/c13-8-3-1-4-9(7-8)16-12-10(11(14)17)5-2-6-15-12/h1-7H,(H2,14,17)(H,15,16)
  • InChiKey: QYIHDPWCKNIVLP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[(3-fluorophenyl)amino]-3-pyridinecarboxamide
  • 2-[(3-fluorophenyl)amino]nicotinamide
  • 2-(3-fluoroanilino)nicotinamide
  • MLS000701596
  • SMR000226868
  • AJ-333/13050047
  • Oprea1_285497
  • ZINC00481289

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens vitamin D (1,25- dihydroxyvitamin D3) receptor Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi steroid hormone receptor vitamin D (1,25- dihydroxyvitamin D3) receptor 427 aa 416 aa 24.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0024 0.5159 0.4605
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0024 0.5159 0.4605
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0024 0.5159 0.5159
Loa Loa (eye worm) hypothetical protein 0.0032 0.9646 0.9646
Echinococcus multilocularis ecdysone induced protein 78C 0.0024 0.5159 0.5159
Loa Loa (eye worm) hypothetical protein 0.0024 0.5159 0.5159
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0024 0.5159 0.5159
Schistosoma mansoni intermediate filament proteins 0.0033 1 1
Brugia malayi steroid hormone receptor 0.0024 0.5159 0.4605
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0024 0.5159 0.4605
Loa Loa (eye worm) steroid hormone receptor 0.0024 0.5159 0.5159
Echinococcus granulosus lamin dm0 0.0033 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0024 0.5159 0.5159
Echinococcus multilocularis thyroid hormone receptor alpha 0.0024 0.5159 0.5159
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0024 0.5159 0.5159
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.1026 0.1026
Loa Loa (eye worm) hypothetical protein 0.0033 1 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0024 0.5159 0.5159
Echinococcus granulosus FTZ F1 alpha 0.0024 0.5159 0.5159
Loa Loa (eye worm) hypothetical protein 0.0024 0.5159 0.5159
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0024 0.5159 0.5159
Echinococcus multilocularis lamin dm0 0.0033 1 1
Brugia malayi Intermediate filament tail domain containing protein 0.0033 1 1
Loa Loa (eye worm) intermediate filament protein 0.0033 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0024 0.5159 0.4605
Echinococcus granulosus ecdysone induced protein 78C 0.0024 0.5159 0.5159
Onchocerca volvulus 0.0033 1 1
Echinococcus multilocularis lamin 0.0033 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0024 0.5159 0.5159
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0024 0.5159 0.4605
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0024 0.5159 0.5159
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0024 0.5159 0.5159
Loa Loa (eye worm) hypothetical protein 0.0024 0.5159 0.5159
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0024 0.5159 0.4605
Echinococcus multilocularis FTZ F1 alpha 0.0024 0.5159 0.5159
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0024 0.5159 0.5159
Brugia malayi nuclear receptor NHR-88 0.0024 0.5159 0.4605
Brugia malayi Nuclear hormone receptor-like 1 0.0024 0.5159 0.4605
Echinococcus granulosus lamin 0.0033 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0024 0.5159 0.4605
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0024 0.5159 0.4605
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0024 0.5159 0.5159
Schistosoma mansoni lamin 0.0033 1 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.5159 0.5159
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0024 0.5159 0.4605
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0024 0.5159 0.5159
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0024 0.5159 0.5159
Brugia malayi photoreceptor-specific nuclear receptor 0.0024 0.5159 0.4605
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0024 0.5159 0.4605
Schistosoma mansoni lamin 0.0033 1 1
Onchocerca volvulus 0.0033 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0024 0.5159 0.5159
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0024 0.5159 0.5159
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0024 0.5159 0.5159
Loa Loa (eye worm) hypothetical protein 0.0024 0.5159 0.5159
Loa Loa (eye worm) hypothetical protein 0.0024 0.5159 0.5159
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0024 0.5159 0.5159
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0024 0.5159 0.4605
Loa Loa (eye worm) hypothetical protein 0.0024 0.5159 0.5159
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0024 0.5159 0.5159
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0024 0.5159 0.5159
Loa Loa (eye worm) hypothetical protein 0.0024 0.5159 0.5159
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0024 0.5159 0.4605
Echinococcus granulosus intermediate filament protein 0.0033 1 1
Brugia malayi ecdysteroid receptor 0.0024 0.5159 0.4605
Brugia malayi Steroid receptor seven-up type 2 0.0024 0.5159 0.4605
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0024 0.5159 0.4605
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0024 0.5159 0.5159
Echinococcus multilocularis musashi 0.0033 1 1
Brugia malayi nuclear hormone receptor 0.0024 0.5159 0.4605

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 5.2213 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.7157 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) 17.7828 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 50.1187 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
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) 100 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 2 (EPAC2): primary screen. (Class of assay: confirmatory) 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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