Detailed information for compound 1546396

Basic information

Technical information
  • TDR Targets ID: 1546396
  • Name: N-(3-chloro-4-fluorophenyl)-4-oxo-4-phenylbut anamide
  • MW: 305.731 | Formula: C16H13ClFNO2
  • H donors: 1 H acceptors: 2 LogP: 3.07 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccc(c(c1)Cl)F)CCC(=O)c1ccccc1
  • InChi: 1S/C16H13ClFNO2/c17-13-10-12(6-7-14(13)18)19-16(21)9-8-15(20)11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,19,21)
  • InChiKey: VDEHKOWTAFWLGV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(3-chloro-4-fluoro-phenyl)-4-oxo-4-phenyl-butanamide
  • N-(3-chloro-4-fluoro-phenyl)-4-keto-4-phenyl-butyramide
  • K808-8289
  • NCGC00140889-01
  • ZINC05062317

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
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0044 0.1006 0.0829
Loa Loa (eye worm) hypothetical protein 0.0035 0.0694 0.0531
Mycobacterium ulcerans hypothetical protein 0.0165 0.5047 0.5145
Loa Loa (eye worm) CXXC zinc finger family protein 0.0062 0.159 0.148
Schistosoma mansoni ap endonuclease 0.002 0.0193 0.0113
Trichomonas vaginalis glutaminase, putative 0.0302 0.9627 1
Schistosoma mansoni cpg binding protein 0.0062 0.159 0.1576
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0194 0.6016 1
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0194 0.6016 0.6249
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0194 0.6016 0.6249
Leishmania major hypothetical protein, conserved 0.006 0.1532 0.1365
Schistosoma mansoni hypothetical protein 0.0038 0.0795 0.0743
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0194 0.6016 0.6249
Onchocerca volvulus 0.0194 0.6016 0.6885
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.1223 0.1192
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.1223 0.1192
Toxoplasma gondii hypothetical protein 0.0051 0.1222 0.3141
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.1223 0.7015
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase 0.0194 0.6016 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.002 0.0193 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.1223 0.1192
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0194 0.6016 0.6249
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0032 0.0608 0.322
Brugia malayi glutaminase DH11.1 0.0302 0.9627 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0035 0.0694 0.0637
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.006 0.1532 0.1592
Toxoplasma gondii histone lysine methyltransferase SET1 0.0118 0.347 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.002 0.0211 0.0773
Schistosoma mansoni glutaminase 0.0302 0.9627 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0035 0.0694 0.375
Echinococcus granulosus cpg binding protein 0.0065 0.1707 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0035 0.0694 0.375
Loa Loa (eye worm) glutaminase 2 0.0302 0.9627 1
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0313 1 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0035 0.0694 0.0637
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0194 0.6016 0.6249
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.1223 0.7015
Trypanosoma cruzi hypothetical protein, conserved 0.006 0.1532 0.1365
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.1223 0.7015
Trichomonas vaginalis set domain proteins, putative 0.0266 0.8425 0.8751
Echinococcus multilocularis cpg binding protein 0.0065 0.1707 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0234 0.7351 0.7587
Brugia malayi Pre-SET motif family protein 0.0035 0.0694 0.0531
Echinococcus granulosus histone lysine methyltransferase setb 0.0035 0.0694 0.375
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0313 1 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0038 0.0795 0.4375
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0035 0.0694 0.1528
Trypanosoma cruzi hypothetical protein, conserved 0.006 0.1532 0.1365
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0148 0.4487 0.4379
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0.0193 0.5
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0194 0.6016 1
Entamoeba histolytica hypothetical protein 0.0038 0.0795 0.1033
Schistosoma mansoni cpg binding protein 0.0065 0.1707 0.1699
Brugia malayi CXXC zinc finger family protein 0.0062 0.159 0.148
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0193 0.0201
Brugia malayi hypothetical protein 0.0038 0.0795 0.0638
Loa Loa (eye worm) histone methyltransferase 0.002 0.0211 0.0019
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0044 0.1006 0.0829
Entamoeba histolytica hypothetical protein 0.0038 0.0795 0.1033
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0051 0.1223 0.1092
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.006 0.1532 0.1592
Plasmodium vivax SET domain protein, putative 0.0035 0.0694 1
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) 0.0134 0.4018 0.788
Onchocerca volvulus 0.0266 0.8425 1
Loa Loa (eye worm) glutaminase 0.0302 0.9627 1
Loa Loa (eye worm) phosphotyrosine protein phosphatase 0.0194 0.6016 0.6172
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.0193 0.0663
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.1223 0.7015
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.002 0.0211 0.0773
Brugia malayi F/Y-rich N-terminus family protein 0.002 0.0203 0.001
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0051 0.1223 0.1092
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0193 0.0201
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0148 0.4487 0.4379
Trypanosoma brucei low molecular weight protein tyrosine phosphatase, putative 0.006 0.1532 0.1365
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0132 0.3935 0.4035
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0313 1 1
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0194 0.6016 0.6249
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0044 0.1006 0.0829
Schistosoma mansoni ap endonuclease 0.002 0.0193 0.0113
Brugia malayi Pre-SET motif family protein 0.0234 0.7351 0.7587
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0044 0.1006 0.0829
Schistosoma mansoni transcription factor LCR-F1 0.0038 0.0795 0.0743
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0054 0.1328 0.1157
Entamoeba histolytica hypothetical protein 0.0038 0.0795 0.1033
Schistosoma mansoni cpg binding protein 0.0065 0.1707 0.1699
Brugia malayi Low molecular weight phosphotyrosine protein phosphatase containing protein 0.0194 0.6016 0.6172
Mycobacterium tuberculosis Conserved hypothetical protein 0.0165 0.5047 1
Onchocerca volvulus 0.0062 0.159 0.1159
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0038 0.0795 0.4375
Entamoeba histolytica hypothetical protein 0.0038 0.0795 0.1033
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0035 0.0694 0.0637
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA 0.0194 0.6016 0.6172
Mycobacterium ulcerans glutaminase 0.0302 0.9627 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.0193 0.0663
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0035 0.0694 0.0637
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0193 0.5
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0148 0.4487 0.4379

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 56.2341 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) 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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