Detailed information for compound 1254737

Basic information

Technical information
  • TDR Targets ID: 1254737
  • Name: 2-(2-chloro-6-fluorophenyl)-N-[1-(oxolan-2-yl )ethyl]acetamide
  • MW: 285.742 | Formula: C14H17ClFNO2
  • H donors: 1 H acceptors: 1 LogP: 2.7 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Cc1c(F)cccc1Cl)NC(C1CCCO1)C
  • InChi: 1S/C14H17ClFNO2/c1-9(13-6-3-7-19-13)17-14(18)8-10-11(15)4-2-5-12(10)16/h2,4-5,9,13H,3,6-8H2,1H3,(H,17,18)
  • InChiKey: TYSCTPQMLHGWOJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-(2-chloro-6-fluoro-phenyl)-N-(1-tetrahydrofuran-2-ylethyl)acetamide
  • 2-(2-chloro-6-fluorophenyl)-N-[1-(2-tetrahydrofuranyl)ethyl]acetamide
  • 2-(2-chloro-6-fluoro-phenyl)-N-[1-(tetrahydrofuryl)ethyl]acetamide
  • 2-(2-chloro-6-fluoro-phenyl)-N-[1-(oxolan-2-yl)ethyl]ethanamide
  • 2-(2-chloro-6-fluorophenyl)-N-[1-(tetrahydro-2-furanyl)ethyl]acetamide
  • MLS000538409
  • IVK/4003775
  • SMR000144446

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 multilocularis smad 0.007 0.0434 0.0479
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.008 0.0534 0.3161
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0031 0.0039 0.0039
Brugia malayi Cathepsin L-like precursor 0.0031 0.0039 0.0039
Trypanosoma brucei sedoheptulose-1,7-bisphosphatase 0.0349 0.3206 0.3474
Schistosoma mansoni cathepsin F (C01 family) 0.0031 0.0039 0.0044
Echinococcus granulosus cathepsin l1 0.0031 0.0039 0.0044
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0048 0.0208 0.0186
Trichomonas vaginalis set domain proteins, putative 0.0212 0.1837 1
Schistosoma mansoni smad1 5 8 and 0.007 0.0434 0.0479
Entamoeba histolytica hypothetical protein 0.0075 0.0476 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0058 0.0311 0.0301
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0338 0.3097 0.3352
Echinococcus granulosus Smad4 0.007 0.0434 0.0479
Entamoeba histolytica hypothetical protein 0.0075 0.0476 1
Schistosoma mansoni hypothetical protein 0.0087 0.0596 0.0658
Brugia malayi RNA binding protein 0.0057 0.0297 0.0297
Toxoplasma gondii hypothetical protein 0.0055 0.0277 0.0306
Echinococcus multilocularis mothers against decapentaplegic 2 0.0031 0.0048 0.0053
Toxoplasma gondii fructose-bisphospatase I 0.0349 0.3206 0.3535
Leishmania major cathepsin L-like protease 0.0117 0.0895 0.0947
Echinococcus multilocularis tar DNA binding protein 0.0057 0.0297 0.0328
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0117 0.0895 0.0901
Schistosoma mansoni smad 0.0031 0.0048 0.0053
Schistosoma mansoni Smad4 0.0031 0.0048 0.0053
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0087 0.0596 0.0658
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0117 0.0895 0.0901
Toxoplasma gondii sedoheptulose-1,7-bisphosphatase 0.0349 0.3206 0.3535
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0186 0.1582 0.1582
Mycobacterium tuberculosis Probable oxidoreductase 0.0089 0.0624 0.3789
Loa Loa (eye worm) MH1 domain-containing protein 0.0031 0.0048 0.0048
Echinococcus granulosus mothers against decapentaplegic 5 0.007 0.0434 0.0479
Brugia malayi Cathepsin L-like precursor 0.0031 0.0039 0.0039
Schistosoma mansoni tar DNA-binding protein 0.0057 0.0297 0.0328
Leishmania major cathepsin L-like protease 0.0117 0.0895 0.0947
Loa Loa (eye worm) hypothetical protein 0.0031 0.0048 0.0048
Trichomonas vaginalis chromobox protein, putative 0.0061 0.0344 0.1693
Brugia malayi Smad1 0.007 0.0434 0.0434
Schistosoma mansoni hypothetical protein 0.0187 0.1596 0.176
Echinococcus granulosus thioredoxin glutathione reductase 0.0036 0.009 0.0099
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.008 0.0534 0.3161
Brugia malayi Cathepsin L-like precursor 0.0031 0.0039 0.0039
Onchocerca volvulus 0.0031 0.0039 0.0201
Leishmania major cathepsin L-like protease 0.0117 0.0895 0.0947
Echinococcus granulosus smad 0.007 0.0434 0.0479
Loa Loa (eye worm) cysteine protease 0.0031 0.0039 0.0039
Brugia malayi MH1 domain containing protein 0.007 0.0434 0.0434
Echinococcus granulosus TGF beta signal transducer SmadC 0.007 0.0434 0.0479
Toxoplasma gondii fructose-bisphospatase II 0.0939 0.9068 1
Loa Loa (eye worm) RNA binding protein 0.0057 0.0297 0.0297
Onchocerca volvulus Cathepsin L homolog 0.0031 0.0039 0.0201
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0048 0.0208 0.0136
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0076 0.0205
Echinococcus multilocularis mothers against decapentaplegic 6 0.0031 0.0048 0.0053
Schistosoma mansoni smad1 5 8 and 0.007 0.0434 0.0479
Loa Loa (eye worm) nuclear factor I 0.0039 0.0122 0.0122
Echinococcus multilocularis Smad4 0.007 0.0434 0.0479
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0075 0.0476 0.0525
Echinococcus multilocularis chromobox protein 1 0.0061 0.0344 0.0379
Plasmodium vivax vivapain-2 0.0031 0.0039 0.4615
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative 0.0939 0.9068 1
Schistosoma mansoni tar DNA-binding protein 0.0057 0.0297 0.0328
Schistosoma mansoni microtubule-associated protein tau 0.0682 0.6507 0.7176
Trypanosoma cruzi cysteine peptidase, putative 0.0117 0.0895 0.0947
Brugia malayi MH1 domain containing protein 0.0039 0.0122 0.0122
Brugia malayi fructose-1,6-bisphosphatase 0.0939 0.9068 0.9068
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0087 0.0596 0.0658
Onchocerca volvulus 0.0031 0.0039 0.0201
Schistosoma mansoni hypothetical protein 0.0075 0.0476 0.0525
Echinococcus multilocularis cathepsin L cysteine protease 0.0031 0.0039 0.0044
Brugia malayi RNA recognition motif domain containing protein 0.0057 0.0297 0.0297
Schistosoma mansoni smad 0.007 0.0434 0.0479
Onchocerca volvulus Mothers against decapentaplegic homolog 0.0031 0.0048 0.0246
Schistosoma mansoni chromobox protein 0.0061 0.0344 0.0379
Onchocerca volvulus Cathepsin F homolog 0.0031 0.0039 0.0201
Trypanosoma cruzi cysteine peptidase, putative 0.0117 0.0895 0.0947
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0338 0.3097 0.3386
Onchocerca volvulus 0.0031 0.0039 0.0201
Schistosoma mansoni hypothetical protein 0.0087 0.0596 0.0658
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.016 0.1326 0.1425
Echinococcus multilocularis GPCR, family 2 0.0087 0.0596 0.0658
Echinococcus granulosus chromobox protein 1 0.0061 0.0344 0.0379
Trichomonas vaginalis chromobox protein, putative 0.0037 0.0102 0.0349
Echinococcus multilocularis chromobox protein 1 0.0061 0.0344 0.0379
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0031 0.0039 0.0044
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0057 0.0297 0.0297
Trypanosoma cruzi trypanothione reductase, putative 0.0035 0.0086 0.0051
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0117 0.0895 0.0901
Onchocerca volvulus 0.0031 0.0039 0.0201
Schistosoma mansoni tar DNA-binding protein 0.0057 0.0297 0.0328
Schistosoma mansoni cathepsin F (C01 family) 0.0031 0.0039 0.0044
Echinococcus granulosus cathepsin l cysteine peptidase 0.0031 0.0039 0.0044
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0338 0.3097 0.3386
Mycobacterium tuberculosis Putative ferredoxin reductase 0.008 0.0534 0.3161
Loa Loa (eye worm) latrophilin receptor protein 2 0.0087 0.0596 0.0596
Brugia malayi MH2 domain containing protein 0.007 0.0434 0.0434
Brugia malayi Cathepsin L-like precursor 0.0031 0.0039 0.0039
Trypanosoma cruzi cruzipain precursor, putative 0.0117 0.0895 0.0947
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0037 0.0102 0.0543
Loa Loa (eye worm) glutathione reductase 0.0035 0.0086 0.0086
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0089 0.0624 0.3789
Loa Loa (eye worm) ctsf protein 0.0031 0.0039 0.0039
Brugia malayi Calcitonin receptor-like protein seb-1 0.0274 0.2458 0.2458
Brugia malayi Thioredoxin reductase 0.0035 0.0086 0.0086
Brugia malayi Cathepsin L-like precursor 0.0031 0.0039 0.0039
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0107 0.0794 0.0836
Onchocerca volvulus 0.0031 0.0039 0.0201
Echinococcus multilocularis cysteine protease 0.0031 0.0039 0.0044
Mycobacterium tuberculosis Conserved hypothetical protein 0.0178 0.1506 1
Loa Loa (eye worm) TAR-binding protein 0.0057 0.0297 0.0297
Trichomonas vaginalis chromobox protein, putative 0.0061 0.0344 0.1693
Trypanosoma cruzi sedoheptulose-1,7-bisphosphatase, putative 0.0349 0.3206 0.3507
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0089 0.0624 0.3789
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0117 0.0895 0.0901
Onchocerca volvulus 0.0212 0.1837 1
Brugia malayi Papain family cysteine protease containing protein 0.0031 0.0039 0.0039
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.008 0.0534 0.3161
Entamoeba histolytica hypothetical protein 0.0075 0.0476 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0274 0.2458 0.2458
Brugia malayi Heterochromatin protein 1 0.0061 0.0344 0.0344
Echinococcus granulosus chromobox protein 1 0.0061 0.0344 0.0379
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0117 0.0895 0.0901
Mycobacterium tuberculosis Probable dehydrogenase 0.008 0.0534 0.3161
Loa Loa (eye worm) hypothetical protein 0.0031 0.0039 0.0039
Loa Loa (eye worm) MH2 domain-containing protein 0.1033 1 1
Schistosoma mansoni hypothetical protein 0.0087 0.0596 0.0658
Loa Loa (eye worm) hypothetical protein 0.0087 0.0596 0.0596
Brugia malayi Pre-SET motif family protein 0.0186 0.1582 0.1582
Brugia malayi Cathepsin L-like precursor 0.0031 0.0039 0.0039
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0089 0.0624 1
Loa Loa (eye worm) thioredoxin reductase 0.0035 0.0086 0.0086
Echinococcus granulosus cathepsin L cysteine proteinase 0.0031 0.0039 0.0044
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0117 0.0895 0.0901
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0117 0.0895 0.0901
Echinococcus granulosus fructose 16 bisphosphatase 1 0.0939 0.9068 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0031 0.0039 0.0044
Echinococcus granulosus mothers against decapentaplegic 2 0.0031 0.0048 0.0053
Schistosoma mansoni tar DNA-binding protein 0.0057 0.0297 0.0328
Schistosoma mansoni TGF-beta signal transducer Smad2 0.007 0.0434 0.0479
Echinococcus multilocularis thioredoxin glutathione reductase 0.0036 0.009 0.0099
Schistosoma mansoni Smad4 0.0031 0.0048 0.0053
Loa Loa (eye worm) MH2 domain-containing protein 0.0031 0.0048 0.0048
Plasmodium vivax thioredoxin reductase, putative 0.0035 0.0086 1
Leishmania major 0.0939 0.9068 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0274 0.2458 0.2458
Trypanosoma cruzi sedoheptulose-1,7-bisphosphatase, putative 0.0349 0.3206 0.3507
Echinococcus granulosus mothers against decapentaplegic 6 0.0031 0.0048 0.0053
Brugia malayi MH2 domain containing protein 0.007 0.0434 0.0434
Loa Loa (eye worm) hypothetical protein 0.0034 0.0076 0.0076
Trypanosoma cruzi major cysteine proteinase, putative 0.0092 0.0647 0.0672
Onchocerca volvulus 0.0031 0.0039 0.0201
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0117 0.0895 0.0901
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative 0.0939 0.9068 1
Schistosoma mansoni smad1 5 8 and 0.007 0.0434 0.0479
Plasmodium falciparum thioredoxin reductase 0.0035 0.0086 1
Mycobacterium tuberculosis Probable reductase 0.008 0.0534 0.3161
Leishmania major trypanothione reductase 0.0035 0.0086 0.0051
Brugia malayi MH2 domain containing protein 0.0031 0.0048 0.0048
Loa Loa (eye worm) heterochromatin protein 1 0.0061 0.0344 0.0344
Loa Loa (eye worm) MH1 domain-containing protein 0.007 0.0434 0.0434
Loa Loa (eye worm) hypothetical protein 0.0274 0.2458 0.2458
Brugia malayi TAR-binding protein 0.0057 0.0297 0.0297
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0037 0.01 0.011
Schistosoma mansoni chromobox protein 0.0061 0.0344 0.0379
Plasmodium vivax vivapain-2 0.0031 0.0039 0.4615
Schistosoma mansoni fructose-16-bisphosphatase-related 0.0939 0.9068 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0048 0.0208 0.0186
Brugia malayi chromobox protein homolog 3 0.0034 0.0076 0.0076
Loa Loa (eye worm) hypothetical protein 0.0187 0.1596 0.1596
Toxoplasma gondii cathepsin CPL 0.0031 0.0039 0.0044
Onchocerca volvulus 0.0037 0.01 0.0529
Plasmodium vivax glutathione reductase, putative 0.0035 0.0086 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0031 0.0039 0.0044
Echinococcus multilocularis cysteine protease 0.0031 0.0039 0.0044
Schistosoma mansoni transcription factor LCR-F1 0.0075 0.0476 0.0525
Echinococcus multilocularis microtubule associated protein 2 0.0682 0.6507 0.7176
Brugia malayi Latrophilin receptor protein 2 0.0087 0.0596 0.0596
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0031 0.0039 0.0039
Brugia malayi latrophilin 2 splice variant baaae 0.0187 0.1596 0.1596
Trypanosoma cruzi cysteine peptidase, putative 0.0117 0.0895 0.0947
Leishmania major mitochondrial DNA polymerase beta 0.0338 0.3097 0.3386
Plasmodium falciparum glutathione reductase 0.0035 0.0086 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0117 0.0895 0.0901
Loa Loa (eye worm) MH2 domain-containing protein 0.007 0.0434 0.0434
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.016 0.1326 0.1425
Mycobacterium ulcerans hypothetical protein 0.0178 0.1506 0.5
Brugia malayi MH1 domain containing protein 0.0039 0.0122 0.0122
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0087 0.0596 0.0658
Entamoeba histolytica hypothetical protein 0.0075 0.0476 1
Echinococcus multilocularis TGF beta signal transducer SmadC 0.007 0.0434 0.0479
Brugia malayi mothers against decapentaplegic homolog 3 0.0031 0.0048 0.0048
Schistosoma mansoni tar DNA-binding protein 0.0057 0.0297 0.0328
Echinococcus granulosus microtubule associated protein 2 0.0682 0.6507 0.7176
Brugia malayi MH1 domain containing protein 0.007 0.0434 0.0434
Brugia malayi glutathione reductase 0.0035 0.0086 0.0086
Loa Loa (eye worm) fructose-1,6-bisphosphatase 0.0939 0.9068 0.9068
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0087 0.0596 0.0658
Trypanosoma brucei fructose-1,6-bisphosphatase 0.0939 0.9068 1
Echinococcus multilocularis fructose 1,6 bisphosphatase 1 0.0939 0.9068 1
Toxoplasma gondii thioredoxin reductase 0.0035 0.0086 0.0094
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0048 0.0208 0.0186
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0117 0.0895 0.0901
Echinococcus multilocularis mothers against decapentaplegic 5 0.007 0.0434 0.0479
Loa Loa (eye worm) transcription factor SMAD2 0.1033 1 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0003 0.0003
Schistosoma mansoni hypothetical protein 0.0087 0.0596 0.0658
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0075 0.0476 0.0525
Brugia malayi hypothetical protein 0.0075 0.0476 0.0476
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0087 0.0596 0.0596
Onchocerca volvulus Cathepsin L homolog 0.0031 0.0039 0.0201
Echinococcus granulosus GPCR family 2 0.0087 0.0596 0.0658
Echinococcus granulosus tar DNA binding protein 0.0057 0.0297 0.0328
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.016 0.1326 0.1381
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0117 0.0895 0.0901
Trichomonas vaginalis chromobox protein, putative 0.0037 0.0102 0.0349
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0034 0.0076 0.0402
Onchocerca volvulus 0.0031 0.0039 0.0201
Loa Loa (eye worm) fibroinase 0.0031 0.0039 0.0039
Schistosoma mansoni Smad4 0.007 0.0434 0.0479
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0076 0.0205
Loa Loa (eye worm) Smad1 0.007 0.0434 0.0434
Loa Loa (eye worm) hypothetical protein 0.0039 0.0122 0.0122

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 35.4813 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (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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