Detailed information for compound 1509894

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 336.358 | Formula: C17H21FN2O4
  • H donors: 0 H acceptors: 3 LogP: 1.91 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(OCCN1C(=O)CC(=O)N(C1=O)CCc1ccc(cc1)F)C
  • InChi: 1S/C17H21FN2O4/c1-12(2)24-10-9-20-16(22)11-15(21)19(17(20)23)8-7-13-3-5-14(18)6-4-13/h3-6,12H,7-11H2,1-2H3
  • InChiKey: UATUEODDUQSVNY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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 mothers against decapentaplegic 5 0.0017 0.0064 0.0063
Loa Loa (eye worm) glutaminase 0.0301 0.3372 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0033 0.0252 0.1208
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0015 0.0048 0.0047
Onchocerca volvulus Alhambra homolog 0.0029 0.0207 0.0024
Schistosoma mansoni smad1 5 8 and 0.0017 0.0064 0.0187
Echinococcus multilocularis PHD finger protein rhinoceros 0.0029 0.0207 0.0206
Loa Loa (eye worm) jmjC domain-containing protein 0.006 0.0564 0.1673
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0033 0.0252 0.0251
Brugia malayi MH1 domain containing protein 0.0017 0.0064 0.019
Brugia malayi Pre-SET motif family protein 0.0033 0.0252 0.0746
Schistosoma mansoni hypothetical protein 0.0015 0.0048 0.0139
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0201 0.0595
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.008 0.0799 0.2369
Toxoplasma gondii histone lysine methyltransferase SET1 0.0055 0.0509 1
Echinococcus multilocularis ETS transcription factor Elf 2 0.0012 0.0006 0.0005
Echinococcus granulosus ETS transcription factor Elf 2 0.0012 0.0006 0.0024
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0039 0.033 0.0975
Brugia malayi jmjC domain containing protein 0.0037 0.0296 0.0879
Brugia malayi MH2 domain containing protein 0.0017 0.0064 0.019
Schistosoma mansoni elf1 0.0012 0.0006 0.0015
Schistosoma mansoni jumonji/arid domain-containing protein 0.0037 0.0296 0.0876
Schistosoma mansoni cpg binding protein 0.003 0.0219 0.0647
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0189 0.2075 0.6153
Schistosoma mansoni hypothetical protein 0.0015 0.0048 0.0139
Echinococcus multilocularis GA binding protein alpha chain 0.008 0.0799 0.0798
Schistosoma mansoni smad1 5 8 and 0.0017 0.0064 0.0187
Brugia malayi Bromodomain containing protein 0.0029 0.0207 0.0614
Brugia malayi Pre-SET motif family protein 0.0224 0.2478 0.735
Echinococcus granulosus ETS transcription factor Elf 5 0.0012 0.0006 0.0024
Echinococcus granulosus jumonji domain containing protein 0.004 0.0338 0.1626
Schistosoma mansoni jumonji domain containing protein 0.0075 0.0744 0.2204
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0018 0.0077 0.0224
Trichomonas vaginalis set domain proteins, putative 0.0255 0.2837 0.8243
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0033 0.0252 0.2621
Schistosoma mansoni hypothetical protein 0.0012 0.0006 0.0015
Schistosoma mansoni cpg binding protein 0.0028 0.0201 0.0592
Brugia malayi beta-lactamase family protein 0.0039 0.033 0.0978
Echinococcus multilocularis geminin 0.0167 0.1813 0.1812
Schistosoma mansoni hypothetical protein 0.0167 0.1813 0.5375
Loa Loa (eye worm) hypothetical protein 0.0039 0.033 0.0978
Echinococcus granulosus PHD finger protein rhinoceros 0.0029 0.0207 0.0992
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0189 0.2075 0.2074
Echinococcus granulosus smad 0.0017 0.0064 0.0304
Loa Loa (eye worm) D-ets-2 protein 0.0012 0.0006 0.0018
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0015 0.0048 0.0047
Echinococcus multilocularis ewsr:fli fusion protein type 0.0012 0.0006 0.0005
Onchocerca volvulus 0.0255 0.2837 1
Schistosoma mansoni hypothetical protein 0.0012 0.0006 0.0015
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0039 0.033 0.0978
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0039 0.033 0.0975
Echinococcus granulosus GPCR family 2 0.0015 0.0048 0.0226
Trichomonas vaginalis glutaminase, putative 0.0301 0.3372 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0189 0.2075 0.6154
Loa Loa (eye worm) hypothetical protein 0.0025 0.016 0.0476
Brugia malayi beta-lactamase family protein 0.0039 0.033 0.0978
Schistosoma mansoni ets 0.0012 0.0006 0.0015
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0094 0.097 0.4671
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0039 0.033 0.0978
Loa Loa (eye worm) DNA-binding protein D-ETS-3 0.0012 0.0006 0.0018
Brugia malayi Ets-domain containing protein 0.008 0.0799 0.2369
Echinococcus granulosus beta LACTamase domain containing family member 0.0039 0.033 0.1585
Loa Loa (eye worm) hypothetical protein 0.0039 0.033 0.0978
Echinococcus multilocularis Smad4 0.0017 0.0064 0.0063
Brugia malayi Ets-domain containing protein 0.008 0.0799 0.2369
Echinococcus granulosus mothers against decapentaplegic 5 0.0017 0.0064 0.0304
Loa Loa (eye worm) transcription factor SMAD2 0.0243 0.2698 0.8002
Echinococcus multilocularis protein C ets 2 0.0012 0.0006 0.0005
Brugia malayi MH2 domain containing protein 0.0017 0.0064 0.019
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0031 0.0231 0.1107
Loa Loa (eye worm) latrophilin receptor protein 2 0.0015 0.0048 0.0143
Loa Loa (eye worm) hypothetical protein 0.0049 0.0447 0.1324
Onchocerca volvulus 0.0039 0.033 0.049
Schistosoma mansoni hypothetical protein 0.0015 0.0048 0.0139
Loa Loa (eye worm) hypothetical protein 0.0048 0.0429 0.1273
Schistosoma mansoni cpg binding protein 0.003 0.0219 0.0647
Schistosoma mansoni hypothetical protein 0.0167 0.1813 0.5375
Brugia malayi hypothetical protein 0.0025 0.016 0.0476
Echinococcus granulosus lysine specific demethylase 5A 0.0037 0.0296 0.1423
Brugia malayi hypothetical protein 0.0016 0.0058 0.0172
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.033 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0033 0.0252 0.0743
Echinococcus multilocularis smad 0.0017 0.0064 0.0063
Brugia malayi CXXC zinc finger family protein 0.0028 0.0201 0.0595
Loa Loa (eye worm) hypothetical protein 0.0068 0.0664 0.197
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.0429 0.1273
Schistosoma mansoni jumonji/arid domain-containing protein 0.0037 0.0296 0.0876
Brugia malayi beta-lactamase 0.0039 0.033 0.0978
Echinococcus multilocularis beta LACTamase domain containing family member 0.0039 0.033 0.0329
Echinococcus granulosus ETS transcription factor Elf 1 0.0012 0.0006 0.0024
Loa Loa (eye worm) hypothetical protein 0.0033 0.0252 0.0746
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0189 0.2075 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0006 0.0018
Echinococcus granulosus cpg binding protein 0.003 0.0219 0.1052
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0017 0.0064 0.0063
Brugia malayi transcription factor E74 isoform 0.0012 0.0006 0.0018
Loa Loa (eye worm) MH1 domain-containing protein 0.0017 0.0064 0.019
Schistosoma mansoni hypothetical protein 0.0029 0.0207 0.0611
Echinococcus multilocularis jumonji domain containing protein 0.004 0.0338 0.0337
Schistosoma mansoni ets-related 0.0242 0.2687 0.7967
Loa Loa (eye worm) glutaminase 2 0.0301 0.3372 1
Echinococcus multilocularis ETS transcription factor Elf 5 0.0012 0.0006 0.0005
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0252 0.0743
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.0207 0.1337
Schistosoma mansoni glutaminase 0.0301 0.3372 1
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0029 0.0207 0.0611
Loa Loa (eye worm) hypothetical protein 0.0039 0.033 0.0978
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0252 0.0743
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.016 0.7736
Brugia malayi MH1 domain containing protein 0.0017 0.0064 0.019
Brugia malayi F/Y-rich N-terminus family protein 0.0019 0.0095 0.0283
Echinococcus multilocularis ets variant gene 4 0.0012 0.0006 0.0005
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.033 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0015 0.0048 0.0226
Plasmodium vivax SET domain protein, putative 0.0033 0.0252 0.762
Schistosoma mansoni gabp alpha 0.008 0.0799 0.2367
Schistosoma mansoni hypothetical protein 0.0033 0.0253 0.0747
Loa Loa (eye worm) fli-1 protein 0.0242 0.2687 0.7968
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0252 0.2799 1
Echinococcus multilocularis peregrin 0.0029 0.0207 0.0206
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0189 0.2075 0.6153
Loa Loa (eye worm) ets-domain-containing protein 0.0012 0.0006 0.0018
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.016 0.7736
Trypanosoma brucei hypothetical protein, conserved 0.0039 0.033 1
Echinococcus granulosus TGF beta signal transducer SmadC 0.0017 0.0064 0.0304
Echinococcus granulosus Smad4 0.0017 0.0064 0.0304
Echinococcus granulosus ETS transcription factor Elf 2 0.0012 0.0006 0.0024
Onchocerca volvulus 0.0039 0.033 0.049
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0189 0.2075 0.2074
Echinococcus granulosus geminin 0.0167 0.1813 0.8735
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0061 0.0583 0.1727
Loa Loa (eye worm) Smad1 0.0017 0.0064 0.019
Echinococcus multilocularis ETS domain containing protein Elk 1 0.0012 0.0006 0.0005
Loa Loa (eye worm) hypothetical protein 0.0029 0.0207 0.0614
Loa Loa (eye worm) MH2 domain-containing protein 0.0243 0.2698 0.8002
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0252 0.0743
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0017 0.0064 0.0187
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0189 0.2075 1
Echinococcus granulosus ETS domain containing protein Elk 1 0.0012 0.0006 0.0024
Brugia malayi glutaminase DH11.1 0.0301 0.3372 1
Leishmania major hypothetical protein, conserved 0.0039 0.033 1
Echinococcus granulosus protein C ets 2 0.0012 0.0006 0.0024
Giardia lamblia PHD finger protein 15 0.0029 0.0207 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0253 0.075
Loa Loa (eye worm) hypothetical protein 0.0033 0.0253 0.075
Schistosoma mansoni polyomavirus enhancer activator 3 pea3 0.0012 0.0006 0.0015
Loa Loa (eye worm) hypothetical protein 0.0015 0.0048 0.0143
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0189 0.2075 0.6153
Schistosoma mansoni Smad4 0.0017 0.0064 0.0187
Loa Loa (eye worm) MH2 domain-containing protein 0.0017 0.0064 0.019
Echinococcus multilocularis cpg binding protein 0.003 0.0219 0.0218
Echinococcus granulosus ewsr:fli fusion protein type 0.0012 0.0006 0.0024
Schistosoma mansoni smad 0.0017 0.0064 0.0187
Schistosoma mansoni smad1 5 8 and 0.0017 0.0064 0.0187
Loa Loa (eye worm) hypothetical protein 0.0039 0.033 0.0978
Plasmodium vivax hypothetical protein, conserved 0.0039 0.033 1
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0012 0.0006 0.0018
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0189 0.2075 0.6154
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0015 0.0048 0.0143
Loa Loa (eye worm) jmjC domain-containing protein 0.0037 0.0296 0.0879
Brugia malayi PHD-finger family protein 0.0029 0.0207 0.0614
Plasmodium vivax hypothetical protein, conserved 0.0029 0.0207 0.626
Mycobacterium leprae conserved hypothetical protein 0.0039 0.033 0.5
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.016 0.4842
Brugia malayi DNA-binding protein D-ETS-3 0.0012 0.0006 0.0018
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0015 0.0048 0.0226
Onchocerca volvulus 0.0039 0.033 0.049
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.0429 0.1273
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0033 0.0252 0.0251
Loa Loa (eye worm) PHD-finger family protein 0.0029 0.0207 0.0614
Loa Loa (eye worm) hypothetical protein 0.0039 0.033 0.0978
Brugia malayi jmjC domain containing protein 0.0094 0.097 0.2876
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0224 0.2478 0.735
Mycobacterium leprae Probable lipase LipE 0.0039 0.033 0.5
Echinococcus multilocularis ETS transcription factor Elf 2 0.0012 0.0006 0.0005
Brugia malayi MH2 domain containing protein 0.0243 0.2698 0.8002
Echinococcus granulosus peregrin 0.0029 0.0207 0.0992
Echinococcus multilocularis ETS transcription factor Elf 1 0.0012 0.0006 0.0005
Mycobacterium ulcerans glutaminase 0.0301 0.3372 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0006 0.0018
Plasmodium falciparum phd finger protein, putative 0.0029 0.0207 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.0429 0.1273
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.0207 0.1337
Brugia malayi Fli-1 protein 0.0242 0.2687 0.7968
Echinococcus multilocularis lysine specific demethylase 5A 0.0035 0.0278 0.0276
Loa Loa (eye worm) beta-lactamase 0.0039 0.033 0.0978
Brugia malayi Smad1 0.0017 0.0064 0.019
Toxoplasma gondii ABC1 family protein 0.0039 0.033 0.4866
Schistosoma mansoni hypothetical protein 0.0015 0.0048 0.0139
Echinococcus granulosus GA binding protein alpha chain 0.008 0.0799 0.3846
Loa Loa (eye worm) hypothetical protein 0.0039 0.033 0.0978
Schistosoma mansoni ets-related 0.0012 0.0006 0.0015
Echinococcus multilocularis GPCR, family 2 0.0015 0.0048 0.0047
Brugia malayi Ets-domain containing protein 0.0012 0.0006 0.0018
Brugia malayi Latrophilin receptor protein 2 0.0015 0.0048 0.0143
Onchocerca volvulus 0.0033 0.0252 0.0194
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0094 0.097 0.0969

Activities

No activities found for this compound.

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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