Detailed information for compound 1415905

Basic information

Technical information
  • TDR Targets ID: 1415905
  • Name: 2-(3,5-dimethylpyrazol-1-yl)-6-fluoropyridine
  • MW: 191.205 | Formula: C10H10FN3
  • H donors: 0 H acceptors: 2 LogP: 2.39 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1nn(c(c1)C)c1cccc(n1)F
  • InChi: 1S/C10H10FN3/c1-7-6-8(2)14(13-7)10-5-3-4-9(11)12-10/h3-6H,1-2H3
  • InChiKey: NMKINQOWTXJIJH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(3,5-dimethylpyrazol-1-yl)-6-fluoro-pyridine
  • 2-(3,5-dimethyl-1-pyrazolyl)-6-fluoropyridine
  • 2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-fluoropyridine
  • MLS000692193
  • SMR000333862
  • 6E-042

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 guanine nucleotide binding protein Gs subunit 0.0096 0.3366 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0017 0.0458 0.0981
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0183 0.5
Brugia malayi DKFZp564C0469 protein 0.001 0.0183 0.0393
Loa Loa (eye worm) hypothetical protein 0.0017 0.0458 0.0981
Schistosoma mansoni hypothetical protein 0.0017 0.0458 0.0963
Echinococcus granulosus replication factor c subunit 1 0.001 0.0183 0.0112
Entamoeba histolytica Activator 1 140 kDa subunit, putative 0.001 0.0183 0.5
Loa Loa (eye worm) MH1 domain-containing protein 0.0009 0.0148 0.0316
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0096 0.3366 1
Schistosoma mansoni hypothetical protein 0.0017 0.0458 0.0963
Brugia malayi MH1 domain containing protein 0.0009 0.0148 0.0316
Echinococcus multilocularis nibrin 0.001 0.0183 0.0112
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.001 0.0183 0.5
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.001 0.0183 0.5
Chlamydia trachomatis DNA ligase 0.001 0.0183 0.5
Brugia malayi hypothetical protein 0.001 0.0183 0.0393
Schistosoma mansoni hypothetical protein 0.0038 0.1201 0.3272
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0096 0.3366 1
Trypanosoma brucei BRCA1 C Terminus (BRCT) domain containing protein, putative 0.001 0.0183 0.5
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.001 0.0183 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0055 0.1841 0.3948
Toxoplasma gondii poly(ADP-ribose) polymerase catalytic domain-containing protein 0.001 0.0183 0.5
Loa Loa (eye worm) hypothetical protein 0.001 0.0183 0.0393
Brugia malayi ATP dependent DNA ligase C terminal region family protein 0.001 0.0183 0.0393
Brugia malayi MH2 domain containing protein 0.0009 0.0148 0.0316
Trypanosoma cruzi BRCA1 C Terminus (BRCT) domain containing protein, putative 0.001 0.0183 0.5
Giardia lamblia Replication factor C, subunit 1 0.001 0.0183 0.5
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0017 0.0458 0.0963
Brugia malayi latrophilin 2 splice variant baaae 0.0038 0.1201 0.2575
Brugia malayi Calcitonin receptor-like protein seb-1 0.0055 0.1841 0.3948
Echinococcus multilocularis replication factor c subunit 1 0.001 0.0183 0.0112
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.001 0.0183 0.5
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0017 0.0458 0.0963
Plasmodium falciparum nicotinamide/nicotinic acid mononucleotide adenylyltransferase 0.0277 1 1
Loa Loa (eye worm) transcription factor SMAD2 0.0132 0.4664 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0009 0.0148 0.0316
Schistosoma mansoni topbp1 0.001 0.0183 0.0112
Schistosoma mansoni chromosome transmission fidelity factor 0.001 0.0183 0.0112
Wolbachia endosymbiont of Brugia malayi NAD-dependent DNA ligase, Lig 0.001 0.0183 0.5
Onchocerca volvulus 0.001 0.0183 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0096 0.3366 1
Toxoplasma gondii ATPase, AAA family protein 0.001 0.0183 0.5
Loa Loa (eye worm) hypothetical protein 0.001 0.0183 0.0393
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0096 0.3366 0.7218
Trypanosoma cruzi hypothetical protein, conserved 0.001 0.0183 0.5
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0017 0.0458 0.0963
Loa Loa (eye worm) MH2 domain-containing protein 0.0132 0.4664 1
Echinococcus granulosus nibrin 0.001 0.0183 0.0112
Loa Loa (eye worm) hypothetical protein 0.001 0.0183 0.0393
Trypanosoma cruzi FHA domain containing protein, putative 0.001 0.0183 0.5
Brugia malayi Latrophilin receptor protein 2 0.0017 0.0458 0.0981
Brugia malayi Smad1 0.0009 0.0148 0.0316
Schistosoma mansoni topbp1 0.001 0.0183 0.0112
Loa Loa (eye worm) hypothetical protein 0.001 0.0183 0.0393
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0183 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0055 0.1841 0.3948
Loa Loa (eye worm) hypothetical protein 0.001 0.0183 0.0393
Loa Loa (eye worm) hypothetical protein 0.0055 0.1841 0.3948
Entamoeba histolytica hypothetical protein 0.001 0.0183 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0096 0.3366 1
Schistosoma mansoni hypothetical protein 0.0017 0.0458 0.0963
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0017 0.0458 0.0981
Schistosoma mansoni DNA ligase IV 0.001 0.0183 0.0112
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0017 0.0458 0.0963
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0183 0.5
Mycobacterium tuberculosis Probable nicotinate-nucleotide adenylyltransferase NadD (deamido-NAD(+) pyrophosphorylase) (deamido-NAD(+) diphosphorylase) (nic 0.0277 1 0.5
Brugia malayi MH2 domain containing protein 0.0009 0.0148 0.0316
Treponema pallidum hypothetical protein 0.0277 1 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.1201 0.2575
Brugia malayi MH1 domain containing protein 0.0009 0.0148 0.0316
Echinococcus multilocularis GPCR, family 2 0.0017 0.0458 0.0963
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0183 0.5
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0183 0.5
Brugia malayi Pax transcription activation domain interacting protein 0.001 0.0183 0.0393
Trichomonas vaginalis replication factor C large subunit, putative 0.001 0.0183 0.5
Schistosoma mansoni hypothetical protein 0.0017 0.0458 0.0963
Loa Loa (eye worm) Smad1 0.0009 0.0148 0.0316
Brugia malayi hypothetical protein 0.001 0.0183 0.0393
Trypanosoma cruzi hypothetical protein, conserved 0.001 0.0183 0.5
Brugia malayi MH2 domain containing protein 0.0132 0.4664 1
Plasmodium vivax nicotinate-nucleotide adenylyltransferase, putative 0.0277 1 1
Mycobacterium ulcerans bifunctional nicotinate-nucleotide adenylyltransferase NadD/hypothetical protein 0.0277 1 1
Brugia malayi topoisomerase 0.001 0.0183 0.0393
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0096 0.3366 0.7218
Echinococcus granulosus GPCR family 2 0.0017 0.0458 0.0963
Loa Loa (eye worm) hypothetical protein 0.001 0.0183 0.0393
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0096 0.3366 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0096 0.3366 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] 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

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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