Detailed information for compound 678729

Basic information

Technical information
  • TDR Targets ID: 678729
  • Name: 4-[(4-chlorophenyl)methoxy]-N-(2-fluorophenyl )-3-methoxybenzamide
  • MW: 385.816 | Formula: C21H17ClFNO3
  • H donors: 1 H acceptors: 1 LogP: 4.92 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(ccc1OCc1ccc(cc1)Cl)C(=O)Nc1ccccc1F
  • InChi: 1S/C21H17ClFNO3/c1-26-20-12-15(21(25)24-18-5-3-2-4-17(18)23)8-11-19(20)27-13-14-6-9-16(22)10-7-14/h2-12H,13H2,1H3,(H,24,25)
  • InChiKey: GPEUIWYADYDNAT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-[(4-chlorophenyl)methoxy]-N-(2-fluorophenyl)-3-methoxy-benzamide
  • 4-(4-chlorobenzyl)oxy-N-(2-fluorophenyl)-3-methoxy-benzamide
  • 4-(4-Chloro-benzyloxy)-N-(2-fluoro-phenyl)-3-methoxy-benzamide
  • A2768/0117327
  • Oprea1_325055
  • ZINC01102684

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
Leishmania major metacaspase, putative 0.0229 0.2844 1
Trypanosoma cruzi metacaspase 5, putative 0.0229 0.2844 1
Schistosoma mansoni hypothetical protein 0.0213 0.2615 0.2565
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0238 0.2979 0.2915
Loa Loa (eye worm) hypothetical protein 0.0254 0.3216 0.4932
Loa Loa (eye worm) hypothetical protein 0.0051 0.0257 0.0298
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 0.0082 0.0705 0.2291
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative 0.0089 0.0807 0.2876
Trichomonas vaginalis glucosylceramidase, putative 0.0278 0.3558 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0064 0.0446 0.1234
Echinococcus multilocularis caspase 8 0.0229 0.2844 0.2779
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0056 0.0324 0.0503
Brugia malayi Calcitonin receptor-like protein seb-1 0.0056 0.0324 0.0503
Trichomonas vaginalis glycogen phosphorylase, putative 0.0211 0.2584 0.7193
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0229 0.2844 0.9533
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0238 0.2979 1
Schistosoma mansoni glycogen phosphorylase 0.0211 0.2584 0.2534
Echinococcus granulosus caspase 2 0.0442 0.5949 0.5913
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0156 0.1783 1
Trypanosoma cruzi metacaspase, putative 0.0229 0.2844 1
Loa Loa (eye worm) hypothetical protein 0.0145 0.1625 0.2441
Toxoplasma gondii LsmAD domain-containing protein 0.0052 0.0269 0.0622
Entamoeba histolytica glycogen phosphorylase, putative 0.0091 0.0839 0.3003
Trichomonas vaginalis glucosylceramidase, putative 0.0182 0.2165 0.5986
Echinococcus granulosus caspase 0.0605 0.8326 0.8311
Schistosoma mansoni hypothetical protein 0.072 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.0182 0.2165 0.5986
Loa Loa (eye worm) hypothetical protein 0.0397 0.5291 0.8181
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0218 0.2682 0.2633
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0064 0.0446 0.2379
Brugia malayi Melibiase family protein 0.0145 0.1625 0.2519
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0238 0.2979 0.2915
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0156 0.1783 0.5948
Trichomonas vaginalis glucosylceramidase, putative 0.0278 0.3558 1
Trypanosoma cruzi metacaspase, putative 0.0229 0.2844 1
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0202 0.2456 0.2388
Brugia malayi hypothetical protein 0.0254 0.3216 0.4984
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0056 0.0324 0.0404
Echinococcus multilocularis glycogen phosphorylase 0.0211 0.2584 0.2517
Echinococcus granulosus glycogen phosphorylase 0.0211 0.2584 0.2517
Loa Loa (eye worm) runx1 0.006 0.038 0.0491
Brugia malayi latrophilin 2 splice variant baaae 0.0038 0.0066 0.0103
Schistosoma mansoni myelin transcription factor 1 myt1 0.0058 0.036 0.0296
Schistosoma mansoni caspase-7 (C14 family) 0.0442 0.5949 0.5922
Echinococcus multilocularis caspase 3 0.0376 0.4991 0.4946
Brugia malayi mbt repeat family protein 0.0051 0.0257 0.0398
Echinococcus multilocularis geminin 0.072 1 1
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0229 0.2844 0.7942
Schistosoma mansoni hypothetical protein 0.0052 0.0265 0.02
Trypanosoma brucei metacaspase MCA2 0.0229 0.2844 1
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0156 0.1783 1
Schistosoma mansoni hypothetical protein 0.072 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.0278 0.3558 1
Trichomonas vaginalis conserved hypothetical protein 0.0229 0.2844 0.7942
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0218 0.2682 0.2633
Trichomonas vaginalis conserved hypothetical protein 0.0229 0.2844 0.7942
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0238 0.2979 1
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0278 0.3558 0.5467
Plasmodium vivax hypothetical protein, conserved 0.0229 0.2844 0.9502
Brugia malayi Cell death protein 3 precursor 0.0442 0.5949 0.922
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0058 0.036 0.0559
Trichomonas vaginalis glucosylceramidase, putative 0.0192 0.2308 0.6398
Echinococcus granulosus Glycosyl transferase family 35 0.0211 0.2584 0.2517
Schistosoma mansoni lozenge 0.006 0.038 0.0316
Echinococcus granulosus polycomb protein SCMH1 0.0051 0.0257 0.0169
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0238 0.2979 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.025 0.3148 0.4826
Brugia malayi carbohydrate phosphorylase 0.0211 0.2584 0.4005
Trichomonas vaginalis glycogen phosphorylase, putative 0.0211 0.2584 0.7193
Loa Loa (eye worm) hypothetical protein 0.0238 0.2979 0.456
Schistosoma mansoni survival motor neuron protein 0.0052 0.0265 0.02
Onchocerca volvulus Cell death protein 3 homolog 0.0442 0.5949 0.9188
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0229 0.2844 0.9533
Loa Loa (eye worm) hypothetical protein 0.0052 0.0269 0.0318
Trypanosoma cruzi PAB1-binding protein , putative 0.0052 0.0269 0.0653
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0064 0.0446 0.036
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0082 0.0705 0.1606
Toxoplasma gondii hypothetical protein 0.0082 0.0705 0.2129
Loa Loa (eye worm) hypothetical protein 0.0089 0.0807 0.1159
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0229 0.2844 0.7942
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0224 0.2772 0.4236
Schistosoma mansoni peptidase Clp (S14 family) 0.0238 0.2979 0.2932
Brugia malayi Pre-SET motif family protein 0.0224 0.2772 0.4296
Trichomonas vaginalis conserved hypothetical protein 0.0229 0.2844 0.7942
Schistosoma mansoni sex comb on midleg homolog 0.0051 0.0257 0.0192
Echinococcus multilocularis SAM and MBT domain containing protein 0.0051 0.0257 0.0169
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0202 0.2456 0.2388
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0218 0.2682 0.2633
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0229 0.2844 0.7942
Trypanosoma brucei Metacaspase-4 0.0229 0.2844 1
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0051 0.0257 0.0192
Brugia malayi follicle stimulating hormone receptor 0.025 0.3148 0.4879
Brugia malayi Probable ClpP-like protease 0.0238 0.2979 0.4616
Onchocerca volvulus 0.0052 0.0265 0.0013
Echinococcus granulosus survival motor neuron protein 1 0.0254 0.3216 0.3155
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0229 0.2844 0.7942
Onchocerca volvulus Glycogen phosphorylase homolog 0.0211 0.2584 0.3756
Trichomonas vaginalis glucosylceramidase, putative 0.0278 0.3558 1
Schistosoma mansoni sex comb on midleg homolog 0.0051 0.0257 0.0192
Trichomonas vaginalis glucosylceramidase, putative 0.0278 0.3558 1
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0058 0.036 0.0273
Entamoeba histolytica glycogen phosphorylase, putative 0.0211 0.2584 1
Giardia lamblia Glycogen phosphorylase 0.0211 0.2584 0.5
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0278 0.3558 0.5513
Echinococcus multilocularis Glycoside hydrolase, family 27 0.0218 0.2682 0.2616
Trypanosoma cruzi metacaspase 5, putative 0.0229 0.2844 1
Schistosoma mansoni inositol monophosphatase 0.004 0.009 0.0023
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0229 0.2844 0.9533
Trichomonas vaginalis glucosylceramidase, putative 0.0278 0.3558 1
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0145 0.1625 0.1569
Brugia malayi hypothetical protein 0.0052 0.0269 0.0418
Echinococcus multilocularis caspase 0.0605 0.8326 0.8311
Echinococcus multilocularis Alpha N acetylgalactosaminidase 0.0218 0.2682 0.2616
Plasmodium falciparum metacaspase-like protein 0.0229 0.2844 0.9502
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0238 0.2979 1
Echinococcus granulosus SAM and MBT domain containing protein 0.0051 0.0257 0.0169
Loa Loa (eye worm) mbt repeat family protein 0.0051 0.0257 0.0298
Echinococcus multilocularis caspase 2 0.0442 0.5949 0.5913
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0238 0.2979 1
Trichomonas vaginalis glucosylceramidase, putative 0.0182 0.2165 0.5986
Loa Loa (eye worm) hypothetical protein 0.0056 0.0324 0.0404
Trypanosoma cruzi PAB1-binding protein , putative 0.0052 0.0269 0.0653
Onchocerca volvulus 0.0213 0.2615 0.3806
Echinococcus granulosus peptidase Clp S14 family 0.0156 0.1783 0.1709
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0229 0.2844 0.7942
Echinococcus multilocularis apoptotic protease activating factor 1 0.0213 0.2615 0.2548
Trichomonas vaginalis conserved hypothetical protein 0.0229 0.2844 0.7942
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0238 0.2979 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0064 0.0446 0.1234
Trypanosoma brucei PAB1-binding protein , putative 0.0052 0.0269 0.0653
Trypanosoma brucei metacaspase 0.0229 0.2844 1
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0229 0.2844 0.7942
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0238 0.2979 1
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative 0.0089 0.0807 0.2876
Schistosoma mansoni caspase-7 (C14 family) 0.0605 0.8326 0.8315
Toxoplasma gondii melibiase subfamily protein 0.0218 0.2682 0.8974
Trichomonas vaginalis glucosylceramidase, putative 0.0182 0.2165 0.5986
Echinococcus granulosus caspase 3 apoptosis cysteine peptidase 0.0605 0.8326 0.8311
Loa Loa (eye worm) hypothetical protein 0.0476 0.6452 1
Loa Loa (eye worm) hypothetical protein 0.0058 0.036 0.046
Leishmania major hypothetical protein, conserved 0.0052 0.0269 0.0653
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0064 0.0446 0.0692
Echinococcus granulosus Alpha N acetylgalactosaminidase 0.0218 0.2682 0.2616
Schistosoma mansoni glycogen phosphorylase 0.0091 0.0839 0.0777
Echinococcus granulosus caspase 8 0.0229 0.2844 0.2779
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0229 0.2844 0.7942
Echinococcus multilocularis peptidase Clp (S14 family) 0.0156 0.1783 0.1709
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0397 0.5291 0.8126
Trichomonas vaginalis set domain proteins, putative 0.0255 0.3222 0.9034
Loa Loa (eye worm) glycogen phosphorylase 0.0211 0.2584 0.3942
Echinococcus multilocularis caspase 3, apoptosis cysteine peptidase 0.0605 0.8326 0.8311
Echinococcus multilocularis Protein lozenge 0.006 0.038 0.0293
Trichomonas vaginalis glucosylceramidase, putative 0.0182 0.2165 0.5986
Loa Loa (eye worm) hypothetical protein 0.0229 0.2844 0.4349
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0145 0.1625 0.1569
Schistosoma mansoni caspase-3 (C14 family) 0.0605 0.8326 0.8315
Onchocerca volvulus Glucosylceramidase homolog 0.0182 0.2165 0.308
Trichomonas vaginalis alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative 0.0145 0.1625 0.4428
Onchocerca volvulus 0.0255 0.3222 0.4786
Echinococcus multilocularis survival motor neuron protein 1 0.0254 0.3216 0.3155
Echinococcus multilocularis polycomb protein SCMH1 0.0051 0.0257 0.0169
Trichomonas vaginalis conserved hypothetical protein 0.0229 0.2844 0.7942
Brugia malayi mbt repeat family protein 0.0051 0.0257 0.0398
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0218 0.2682 0.2633
Trypanosoma brucei metacaspase MCA3 0.0229 0.2844 1
Schistosoma mansoni subfamily C14A unassigned peptidase (C14 family) 0.0229 0.2844 0.2796
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0238 0.2979 1
Brugia malayi mucosa associated lymphoid tissue lymphoma translocation protein 1 0.0229 0.2844 0.4407
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0064 0.0446 0.0382
Trichomonas vaginalis conserved hypothetical protein 0.0229 0.2844 0.7942
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0238 0.2979 1
Entamoeba histolytica glycogen phosphorylase, putative 0.0091 0.0839 0.3003
Echinococcus granulosus apoptotic protease activating factor 1 0.0213 0.2615 0.2548
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0238 0.2979 1
Plasmodium vivax metacaspase 1, putative 0.0229 0.2844 0.9502
Onchocerca volvulus 0.0476 0.6452 1
Schistosoma mansoni glycogen phosphorylase 0.0211 0.2584 0.2534
Echinococcus multilocularis glycogen phosphorylase 0.0211 0.2584 0.2517
Schistosoma mansoni hypothetical protein 0.0312 0.4055 0.4015
Mycobacterium tuberculosis Probable glycogen phosphorylase GlgP 0.0091 0.0839 0.4616
Brugia malayi Inositol-1 0.004 0.009 0.0139
Entamoeba histolytica glycogenphosphorylase, putative 0.0091 0.0839 0.3003
Echinococcus granulosus caspase 3 0.0376 0.4991 0.4946
Loa Loa (eye worm) hypothetical protein 0.0442 0.5949 0.9212
Plasmodium falciparum metacaspase 1 0.0229 0.2844 0.9502
Entamoeba histolytica glycogen phosphorylase, putative 0.0211 0.2584 1
Echinococcus granulosus histone acetyltransferase MYST2 0.0058 0.036 0.0273
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0229 0.2844 0.7942
Loa Loa (eye worm) hypothetical protein 0.0213 0.2615 0.3991
Echinococcus multilocularis histone acetyltransferase MYST2 0.0058 0.036 0.0273
Trypanosoma cruzi metacaspase, putative 0.0229 0.2844 1
Echinococcus multilocularis Glycosyl transferase, family 35 0.0211 0.2584 0.2517
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0229 0.2844 0.7942
Trichomonas vaginalis glucosylceramidase, putative 0.0192 0.2308 0.6398
Loa Loa (eye worm) inositol-1 0.004 0.009 0.0036
Trichomonas vaginalis glucosylceramidase, putative 0.0182 0.2165 0.5986
Brugia malayi hypothetical protein 0.0213 0.2615 0.4053
Loa Loa (eye worm) hypothetical protein 0.0476 0.6452 1
Trichomonas vaginalis glucosylceramidase, putative 0.0182 0.2165 0.5986
Echinococcus granulosus glycogen phosphorylase 0.0211 0.2584 0.2517
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0082 0.0705 0.1606
Mycobacterium ulcerans glycogen phosphorylase GlgP 0.0091 0.0839 0.2593
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0064 0.0446 0.1295
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0058 0.036 0.0273
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0238 0.2979 1
Schistosoma mansoni inositol monophosphatase 0.004 0.009 0.0023
Trypanosoma brucei metacaspase 5, putative 0.0229 0.2844 1
Brugia malayi N-terminal motif family protein 0.0397 0.5291 0.82
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0052 0.0265 0.0411
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0053 0.0276 0.0328
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0064 0.0446 0.036
Loa Loa (eye worm) MBCTL1 0.0058 0.036 0.046
Brugia malayi hypothetical protein 0.0476 0.6452 1
Trypanosoma cruzi metacaspase, putative 0.0229 0.2844 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 99 uM PUBCHEM_BIOASSAY: SAR Analysis of small molecule inhibitors of Sentrin-specific proteases (SENPs) using a Caspase-3 Selectivity assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2540, AID2599, AID434973, AID489001] ChEMBL. No reference
IC50 (functional) > 99 uM PUBCHEM_BIOASSAY: SAR Analysis of small molecule inhibitors of Sentrin-specific protease 6 (SENP6) using a Luminescent assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2582, AID2599] ChEMBL. No reference
IC50 (functional) > 99 uM PUBCHEM_BIOASSAY: SAR Analysis of small molecule inhibitors of Sentrin-specific protease 7 (SENP7) using a Luminescent assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID434973, AID434986] ChEMBL. No reference
IC50 (functional) > 99 uM PUBCHEM_BIOASSAY: SAR Analysis of small molecule inhibitors of Sentrin-specific protease 8 (SENP8) using a Luminescent assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2540, AID2575] 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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