Detailed information for compound 1450358

Basic information

Technical information
  • TDR Targets ID: 1450358
  • Name: 5-(3-fluorophenyl)-N-(2-piperidin-1-ylphenyl) -1,3-oxazole-4-carboxamide
  • MW: 365.401 | Formula: C21H20FN3O2
  • H donors: 1 H acceptors: 2 LogP: 4.24 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1cccc(c1)c1ocnc1C(=O)Nc1ccccc1N1CCCCC1
  • InChi: 1S/C21H20FN3O2/c22-16-8-6-7-15(13-16)20-19(23-14-27-20)21(26)24-17-9-2-3-10-18(17)25-11-4-1-5-12-25/h2-3,6-10,13-14H,1,4-5,11-12H2,(H,24,26)
  • InChiKey: ULJOEFPNLGSQAJ-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 5-(3-fluorophenyl)-N-[2-(1-piperidyl)phenyl]oxazole-4-carboxamide
  • 5-(3-fluorophenyl)-N-[2-(1-piperidyl)phenyl]-4-oxazolecarboxamide
  • 5-(3-fluorophenyl)-N-(2-piperidinophenyl)oxazole-4-carboxamide
  • ZINC04932752
  • ASN 10400675
  • MLS000529621
  • SMR000122096
  • 5-(3-Fluoro-phenyl)-oxazole-4-carboxylic acid (2-piperidin-1-yl-phenyl)-amide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Brugia malayi MH2 domain containing protein 0.0041 0.0144 0.0145
Brugia malayi latrophilin 2 splice variant baaae 0.0242 0.1737 0.1743
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0112 0.0708 0.071
Toxoplasma gondii peptidyl-prolyl cis-trans isomerase, FKBP-type domain-containing protein 0.0176 0.1217 1
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type , putative 0.1286 1 1
Treponema pallidum peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB) 0.1281 0.9958 1
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.1281 0.9958 1
Plasmodium falciparum peptidyl-prolyl cis-trans isomerase, putative 0.0176 0.1217 0.1184
Trypanosoma cruzi macrophage infectivity potentiator, precursor, putative 0.0176 0.1217 0.1158
Loa Loa (eye worm) latrophilin receptor protein 2 0.0112 0.0708 0.0711
Trichomonas vaginalis fk506-binding protein, putative 0.1281 0.9958 1
Schistosoma mansoni Smad4 0.0041 0.0144 0.0073
Echinococcus multilocularis GPCR, family 2 0.0112 0.0708 0.0641
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.1281 0.9958 1
Echinococcus multilocularis Smad4 0.0041 0.0144 0.0073
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-30 0.0176 0.1217 0.1222
Brugia malayi MH2 domain containing protein 0.0041 0.0144 0.0145
Schistosoma mansoni hypothetical protein 0.0242 0.1737 0.1678
Loa Loa (eye worm) TAR-binding protein 0.0076 0.0427 0.0429
Brugia malayi photoreceptor-specific nuclear receptor 0.0249 0.1792 0.1798
Plasmodium vivax peptidyl-prolyl cis-trans isomerase, putative 0.0176 0.1217 0.1184
Echinococcus granulosus Smad4 0.0041 0.0144 0.0073
Leishmania major fk506-binding protein 1-like protein 0.1281 0.9958 1
Leishmania major peptidylprolyl isomerase-like protein 0.1281 0.9958 1
Schistosoma mansoni immunophilin FK506 binding protein FKBP12 0.1281 0.9958 0.9958
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0176 0.1217 0.1158
Toxoplasma gondii peptidyl-prolyl isomerase FKBP12, putative 0.0176 0.1217 1
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-33 0.0176 0.1217 0.1222
Loa Loa (eye worm) MH2 domain-containing protein 0.0599 0.4559 0.4578
Toxoplasma gondii isocitrate dehydrogenase 0.0032 0.0071 0.0243
Schistosoma mansoni smad1 5 8 and 0.0041 0.0144 0.0073
Giardia lamblia 70 kDa peptidylprolyl isomerase, putative 0.1281 0.9958 1
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0081 0.0464 0.0425
Echinococcus granulosus tar DNA binding protein 0.0076 0.0427 0.0358
Wolbachia endosymbiont of Brugia malayi FKBP-type peptidylprolyl isomerase 0.0176 0.1217 1
Trypanosoma brucei FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.1281 0.9958 1
Brugia malayi Latrophilin receptor protein 2 0.0112 0.0708 0.071
Schistosoma mansoni immunophilin 0.1286 1 1
Loa Loa (eye worm) hypothetical protein 0.0249 0.1792 0.18
Trichomonas vaginalis immunophilin, putative 0.1281 0.9958 1
Echinococcus granulosus FK506 binding protein 2 0.0176 0.1217 0.1153
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0354 0.2624 0.2632
Schistosoma mansoni hypothetical protein 0.0112 0.0708 0.0641
Brugia malayi Calcitonin receptor-like protein seb-1 0.0354 0.2624 0.2632
Toxoplasma gondii peptidyl-prolyl cis-trans isomerase, FKBP-type domain-containing protein 0.0176 0.1217 1
Trypanosoma brucei FKBP-type peptidylprolyl cis-trans isomerase, putative 0.0176 0.1217 0.1158
Leishmania major peptidyl-prolyl cis-trans isomerase, putative 0.0176 0.1217 0.1158
Schistosoma mansoni hypothetical protein 0.0112 0.0708 0.0641
Loa Loa (eye worm) MH1 domain-containing protein 0.0041 0.0144 0.0145
Echinococcus multilocularis FK506 binding protein 8, 38 kDa 0.0182 0.1258 0.1195
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.1281 0.9958 1
Echinococcus granulosus mothers against decapentaplegic 5 0.0041 0.0144 0.0073
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0032 0.0071 0.0029
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0427 0.0358
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-12 0.1281 0.9958 1
Loa Loa (eye worm) hypothetical protein 0.0112 0.0708 0.0711
Trypanosoma brucei hypothetical protein, conserved 0.0176 0.1217 0.1158
Loa Loa (eye worm) hypothetical protein 0.0176 0.1217 0.1222
Schistosoma mansoni peptidase Clp (S14 family) 0.0081 0.0464 0.0396
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0112 0.0708 0.0641
Toxoplasma gondii peptidyl-prolyl cis-trans isomerase, FKBP-type domain-containing protein 0.0176 0.1217 1
Brugia malayi Smad1 0.0041 0.0144 0.0145
Loa Loa (eye worm) Smad1 0.0041 0.0144 0.0145
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0081 0.0464 0.359
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0427 0.0358
Schistosoma mansoni hypothetical protein 0.0176 0.1217 0.1153
Echinococcus multilocularis 0.0176 0.1217 0.1153
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0112 0.0708 0.0641
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-33, BmFKBP-33 0.0176 0.1217 0.122
Echinococcus granulosus smad 0.0041 0.0144 0.0073
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.6416 0.639
Schistosoma mansoni hypothetical protein 0.0112 0.0708 0.0641
Leishmania major FKBP-type peptidyl-prolyl cis-trans isomerase, putative 0.0176 0.1217 0.1158
Schistosoma mansoni smad1 5 8 and 0.0041 0.0144 0.0073
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.0427 0.0428
Loa Loa (eye worm) transcription factor SMAD2 0.0599 0.4559 0.4578
Schistosoma mansoni fk506 binding protein 0.0176 0.1217 0.1153
Onchocerca volvulus 0.0178 0.1226 1
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0041 0.0144 0.0073
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-30, BmFKBP-30 0.0176 0.1217 0.122
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59 0.1282 0.9968 1
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0176 0.1217 0.1158
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.1281 0.9958 1
Echinococcus granulosus TGF beta signal transducer SmadC 0.0041 0.0144 0.0073
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.1281 0.9958 1
Echinococcus multilocularis fk506 binding protein 0.1281 0.9958 0.9958
Trypanosoma cruzi FKBP-type peptidylprolyl cis-trans isomerase, putative 0.0176 0.1217 0.1158
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0032 0.0071 0.0029
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0081 0.0464 0.0425
Plasmodium vivax 70 kDa peptidylprolyl isomerase, putative 0.1281 0.9958 1
Brugia malayi isocitrate dehydrogenase 0.0032 0.0071 0.0072
Mycobacterium ulcerans FK-506 binding protein, peptidyl-prolyl cis-trans isomerase 0.1281 0.9958 1
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.111 0.8605 0.8595
Brugia malayi MH1 domain containing protein 0.0041 0.0144 0.0145
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0081 0.0464 0.359
Echinococcus granulosus GPCR family 2 0.0112 0.0708 0.0641
Schistosoma mansoni hypothetical protein 0.0112 0.0708 0.0641
Loa Loa (eye worm) MH2 domain-containing protein 0.0041 0.0144 0.0145
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0053 0.0243 0.1497
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0427 0.0358
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0053 0.0243 0.1703
Plasmodium falciparum peptidyl-prolyl cis-trans isomerase FKBP35 0.1281 0.9958 1
Mycobacterium leprae PROBABLE TRIGGER FACTOR (TF) PROTEIN TIG 0.0176 0.1217 1
Treponema pallidum peptidyl-prolyl cis-trans isomerase, FKBP-type (slyD) 0.0176 0.1217 0.1184
Trypanosoma brucei macrophage infectivity potentiator, precursor, putative 0.0176 0.1217 0.1158
Mycobacterium ulcerans hypothetical protein 0.0176 0.1217 0.0792
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0053 0.0243 0.1497
Trypanosoma cruzi FKBP-type peptidylprolyl cis-trans isomerase, putative 0.0176 0.1217 0.1158
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0081 0.0464 0.359
Brugia malayi Isocitrate dehydrogenase 0.0032 0.0071 0.0072
Echinococcus multilocularis tar DNA binding protein 0.0076 0.0427 0.0358
Loa Loa (eye worm) hypothetical protein 0.0354 0.2624 0.2635
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-12, BmFKBP-12 0.1281 0.9958 0.999
Schistosoma mansoni immunophilin 0.111 0.8605 0.8595
Echinococcus granulosus microtubule associated protein 2 0.0833 0.6416 0.639
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.1281 0.9958 1
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.1286 1 1
Echinococcus multilocularis peptidase Clp (S14 family) 0.0053 0.0243 0.0173
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type, putative 0.1286 1 1
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.0176 0.1217 0.1158
Echinococcus granulosus FK506 binding protein 8 38 kDa 0.0176 0.1217 0.1153
Toxoplasma gondii isocitrate dehydrogenase 0.0032 0.0071 0.0243
Mycobacterium tuberculosis Probable trigger factor (TF) protein Tig 0.0176 0.1217 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0112 0.0708 0.0641
Loa Loa (eye worm) hypothetical protein 0.0081 0.0464 0.0466
Loa Loa (eye worm) FKBP5 protein 0.1281 0.9958 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0354 0.2624 0.2635
Loa Loa (eye worm) hypothetical protein 0.1106 0.8573 0.8609
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.0427 0.0429
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP1A 0.1281 0.9958 0.9958
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0112 0.0708 0.0641
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-13, BmFKBP-13 0.0176 0.1217 0.122
Leishmania major peptidyl-prolyl cis-trans isomerase, macrophage infectivity potentiator precursor, putative 0.0176 0.1217 0.1158
Wolbachia endosymbiont of Brugia malayi FKBP-type peptidylprolyl isomerase 0.0176 0.1217 1
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-13 0.0176 0.1217 0.1222
Chlamydia trachomatis peptidyl-prolyl cis-trans isomerase 0.0176 0.1217 1
Echinococcus multilocularis mothers against decapentaplegic 5 0.0041 0.0144 0.0073
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0041 0.0144 0.0073
Schistosoma mansoni smad 0.0041 0.0144 0.0073
Brugia malayi MH1 domain containing protein 0.0041 0.0144 0.0145
Brugia malayi RNA binding protein 0.0076 0.0427 0.0428
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0081 0.0464 0.0396
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.1281 0.9958 1
Brugia malayi MH2 domain containing protein 0.0599 0.4559 0.4573
Echinococcus granulosus peptidase Clp S14 family 0.0053 0.0243 0.0173
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.111 0.8605 0.8595
Loa Loa (eye worm) isocitrate dehydrogenase 0.0032 0.0071 0.0072
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0081 0.0464 0.0425
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0427 0.0358
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.6416 0.639
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.1281 0.9958 1
Schistosoma mansoni immunophilin 0.1286 1 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0427 0.0358
Loa Loa (eye worm) RNA binding protein 0.0076 0.0427 0.0429
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0081 0.0464 0.0396
Schistosoma mansoni smad1 5 8 and 0.0041 0.0144 0.0073
Brugia malayi TAR-binding protein 0.0076 0.0427 0.0428
Echinococcus multilocularis smad 0.0041 0.0144 0.0073
Brugia malayi Probable ClpP-like protease 0.0081 0.0464 0.0466
Loa Loa (eye worm) hypothetical protein 0.0242 0.1737 0.1744

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 9.285 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) 12.5893 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.1254 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 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) = 19.9526 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) 35.4813 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 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

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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