Detailed information for compound 1309766

Basic information

Technical information
  • TDR Targets ID: 1309766
  • Name: 4-fluoro-N-pyridin-4-ylbenzamide
  • MW: 216.211 | Formula: C12H9FN2O
  • H donors: 1 H acceptors: 2 LogP: 1.79 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)C(=O)Nc1ccncc1
  • InChi: 1S/C12H9FN2O/c13-10-3-1-9(2-4-10)12(16)15-11-5-7-14-8-6-11/h1-8H,(H,14,15,16)
  • InChiKey: DPMZMSGLJJFLMW-UHFFFAOYSA-N  

Network

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Synonyms

  • 4-fluoro-N-(4-pyridyl)benzamide
  • 4-fluoro-N-pyridin-4-yl-benzamide
  • ST5003930
  • IDI1_010273
  • Oprea1_389486
  • MLS000528942
  • SMR000121417
  • ZINC00854689
  • IFLab1_004518
  • Oprea1_079675
  • BAS 00628513

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Rattus norvegicus Inositol monophosphatase 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Entamoeba histolytica myo-inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania mexicana myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma congolense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium ulcerans extragenic suppressor protein SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi Inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Neospora caninum hypothetical protein Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K01092 myo-inositol-1(or 4)-monophosphatase [EC3.1.3.25], putative Get druggable targets OG5_126810 All targets in OG5_126810
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania braziliensis myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania donovani myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania infantum myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 306 aa 22.5 %
Onchocerca volvulus Putative 28S ribosomal protein S10, mitochondrial Inositol monophosphatase 1   277 aa 271 aa 46.1 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase 1 Inositol monophosphatase 1   277 aa 275 aa 22.2 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Onchocerca volvulus Inositol monophosphatase 1   277 aa 238 aa 22.7 %
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 309 aa 27.8 %
Onchocerca volvulus Putative trans-2-enoyl-CoA reductase 1, mitochondrial Inositol monophosphatase 1   277 aa 278 aa 23.0 %
Brugia malayi Inositol monophosphatase family protein Inositol monophosphatase 1   277 aa 238 aa 21.8 %
Trypanosoma congolense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 28.9 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 300 aa 22.0 %
Loa Loa (eye worm) hypothetical protein Inositol monophosphatase 1   277 aa 298 aa 23.8 %
Trichomonas vaginalis diphosphonucleoside phosphohydrolase, putative Inositol monophosphatase 1   277 aa 263 aa 21.7 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 307 aa 22.5 %
Trypanosoma brucei inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 27.3 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 258 aa 21.7 %
Trichomonas vaginalis myo inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 276 aa 21.4 %
Trypanosoma cruzi inositol polyphosphate 1-phosphatase, putative Inositol monophosphatase 1   277 aa 291 aa 23.7 %
Schistosoma mansoni pap-inositol-14-phosphatase Inositol monophosphatase 1   277 aa 279 aa 22.9 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase Inositol monophosphatase 1   277 aa 230 aa 25.2 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 287 aa 22.3 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 268 aa 22.4 %
Schistosoma japonicum ko:K01082 3'(2'), 5'-bisphosphate nucleotidase [EC3.1.3.7], putative Inositol monophosphatase 1   277 aa 275 aa 21.5 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 263 aa 24.0 %
Trypanosoma cruzi myo-inositol-1 phosphatase, putative Inositol monophosphatase 1   277 aa 284 aa 30.6 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Toxoplasma gondii type I fatty acid synthase, putative 0.0051 0.251 0.0623
Mycobacterium ulcerans fatty acid synthase Fas 0.0051 0.251 0.0623
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.0051 0.251 0.0623
Schistosoma mansoni 3-oxoacyl-[ACP] synthase 0.0146 1 1
Trypanosoma cruzi beta-ketoacyl synthase family protein, putative 0.0146 1 1
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.1741 0.1741
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.285 0.285
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0051 0.251 0.1992
Mycobacterium ulcerans polyketide synthase Pks9 0.0051 0.251 0.0623
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.0051 0.251 0.1992
Brugia malayi Inositol-1 0.0045 0.2012 0.2012
Echinococcus multilocularis 3 oxoacyl (acyl carrier protein) synthase 0.0146 1 1
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.0051 0.251 0.1992
Plasmodium falciparum 3-oxoacyl-acyl-carrier protein synthase I/II 0.0146 1 0.5
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0051 0.251 0.0623
Mycobacterium tuberculosis Polyketide synthetase MbtC (polyketide synthase) 0.0051 0.251 0.1992
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.324 0.324
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.285 0.285
Mycobacterium leprae Polyketide synthase Pks13 0.0051 0.251 0.1992
Mycobacterium tuberculosis 3-oxoacyl-[acyl-carrier protein] synthase 1 KasA (beta-ketoacyl-ACP synthase) (KAS I) 0.0095 0.599 1
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0051 0.251 0.0623
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.324 0.324
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.0051 0.251 0.1992
Schistosoma mansoni hypothetical protein 0.0041 0.1741 0.1741
Onchocerca volvulus Fatty acid synthase homolog 0.0051 0.251 0.5
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0051 0.251 0.0623
Trichomonas vaginalis inositol monophosphatase, putative 0.0045 0.2012 0.5
Mycobacterium tuberculosis Polyketide synthase Pks13 0.0051 0.251 0.1992
Mycobacterium ulcerans Type I modular polyketide synthase 0.0051 0.251 0.0623
Mycobacterium ulcerans polyketide synthase 0.0051 0.251 0.0623
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.0051 0.251 0.1992
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.285 0.285
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.0051 0.251 0.1992
Toxoplasma gondii 3-oxoacyl-acyl-carrier protein synthase I/II, putative 0.0146 1 1
Mycobacterium tuberculosis 3-oxoacyl-[acyl-carrier protein] synthase 2 KasB (beta-ketoacyl-ACP synthase) (KAS I) 0.0095 0.599 1
Schistosoma mansoni inositol monophosphatase 0.0045 0.2012 0.2012
Wolbachia endosymbiont of Brugia malayi 3-oxoacyl-ACP synthase 0.0146 1 1
Mycobacterium tuberculosis Probable polyketide synthase Pks15 0.0051 0.251 0.1992
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0051 0.251 0.0623
Mycobacterium ulcerans Type I modular polyketide synthase 0.0051 0.251 0.0623
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0051 0.251 0.251
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0045 0.2012 0.5
Schistosoma mansoni inositol monophosphatase 0.0045 0.2012 0.2012
Loa Loa (eye worm) beta-ketoacyl synthase domain-containing protein 0.0146 1 1
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0051 0.251 0.1992
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.285 0.285
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.0051 0.251 0.0623
Echinococcus granulosus inositol monophosphatase 1 0.0045 0.2012 0.2012
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.0051 0.251 0.1992
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0051 0.251 0.1992
Loa Loa (eye worm) hypothetical protein 0.0051 0.251 0.251
Onchocerca volvulus 0.0051 0.251 0.5
Mycobacterium ulcerans 3-oxoacyl-(acyl carrier protein) synthase II 0.0146 1 1
Plasmodium vivax 3-oxoacyl-[acyl-carrier-protein] synthase i/ii, putative 0.0146 1 0.5
Mycobacterium tuberculosis Probable fatty acid synthase Fas (fatty acid synthetase) 0.0051 0.251 0.1992
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.0051 0.251 0.1992
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.0051 0.251 0.0623
Toxoplasma gondii type I fatty acid synthase, putative 0.0051 0.251 0.0623
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.2012 0.5
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.0051 0.251 0.1992
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.285 0.285
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0051 0.251 0.1992
Echinococcus multilocularis inositol monophosphatase 1 0.0045 0.2012 0.2012
Trypanosoma brucei beta-ketoacyl-ACP synthase 0.0146 1 1
Loa Loa (eye worm) hypothetical protein 0.0051 0.251 0.251
Mycobacterium ulcerans polyketide synthase Pks13 0.0051 0.251 0.0623
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE 0.0051 0.251 0.1992
Mycobacterium ulcerans polyketide synthase 0.0051 0.251 0.0623
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.285 0.285
Mycobacterium ulcerans polyketide synthase MbtC 0.0051 0.251 0.0623
Leishmania major beta-ketoacyl synthase family protein, putative,3-oxoacyl-acyl carrier protein synthase ii, putative 0.0146 1 1
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.0051 0.251 0.1992
Mycobacterium leprae 3-oxoacyl-[acyl-carrier-protein] synthase 1 KasA (BETA-KETOACYL-ACP SYNTHASE) (KAS I) 0.0095 0.599 1
Mycobacterium ulcerans 3-oxoacyl-(acyl carrier protein) synthase II 0.0146 1 1
Loa Loa (eye worm) hypothetical protein 0.006 0.324 0.324
Mycobacterium ulcerans Type I modular polyketide synthase 0.0051 0.251 0.0623
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0051 0.251 0.251
Chlamydia trachomatis 3-oxoacyl-ACP synthase 0.0146 1 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.324 0.324
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0051 0.251 0.1992
Echinococcus granulosus 3 oxoacyl acyl carrier protein synthase 0.0146 1 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.285 0.285
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.285 0.285
Loa Loa (eye worm) hypothetical protein 0.0041 0.1741 0.1741
Mycobacterium leprae Probable polyketide synthase Pks1 0.0051 0.251 0.1992
Mycobacterium leprae 3-oxoacyl-[acyl-carrier-protein] synthase 2 KasB (BETA-KETOACYL-ACP SYNTHASE) (KAS I) 0.0095 0.599 1
Mycobacterium tuberculosis Probable polyketide synthase Pks9 0.0051 0.251 0.1992
Mycobacterium tuberculosis Polyketide synthase Pks12 0.0051 0.251 0.1992
Trypanosoma cruzi beta-ketoacyl synthase family protein, putative 0.0146 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.285 0.285
Mycobacterium leprae PROBABLE FATTY ACID SYNTHASE FAS (FATTY ACID SYNTHETASE) 0.0051 0.251 0.1992
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.2012 0.5
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE 0.0051 0.251 0.0623
Loa Loa (eye worm) inositol-1 0.0045 0.2012 0.2012

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 1 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.2589 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 1.5849 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors: Potentiation with Lithium. (Class of assay: confirmatory) [Related pubchem assays: 901 ] ChEMBL. No reference
Potency (functional) 3.5481 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.2213 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) = 11.2202 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (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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