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

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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