Detailed information for compound 1145359

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 210.205 | Formula: C10H11FN2O2
  • H donors: 3 H acceptors: 2 LogP: 0.21 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1cc(CC2=NCCN2)cc(c1O)F
  • InChi: 1S/C10H11FN2O2/c11-7-3-6(4-8(14)10(7)15)5-9-12-1-2-13-9/h3-4,14-15H,1-2,5H2,(H,12,13)
  • InChiKey: WLFOSTFRKCEQJD-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
Brugia malayi MH1 domain containing protein 0.0025 0.0115 0.0096
Entamoeba histolytica hypothetical protein 0.0073 0.0677 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0054 0.0454 0.0957
Schistosoma mansoni tar DNA-binding protein 0.0268 0.2927 0.2873
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0054 0.0454 0.038
Loa Loa (eye worm) hypothetical protein 0.0024 0.0109 0.0178
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0024 0.0109 1
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0025 0.0115 0.0038
Entamoeba histolytica acyl-coA synthetase, putative 0.0024 0.0109 0.0544
Loa Loa (eye worm) TAR-binding protein 0.0268 0.2927 0.7257
Brugia malayi RNA binding protein 0.0268 0.2927 0.723
Brugia malayi Calcitonin receptor-like protein seb-1 0.0166 0.1749 0.4241
Loa Loa (eye worm) fli-1 protein 0.0228 0.247 0.6109
Schistosoma mansoni hypothetical protein 0.0879 1 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0109 1
Schistosoma mansoni hypothetical protein 0.0053 0.0437 0.0363
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0109 0.0544
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0054 0.0454 0.038
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0053 0.0437 0.0363
Echinococcus granulosus sentrin specific protease 1 0.0048 0.0387 0.0313
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0268 0.2927 0.7257
Mycobacterium ulcerans DNA polymerase IV 0.0021 0.0077 0.5391
Brugia malayi TAR-binding protein 0.0268 0.2927 0.723
Echinococcus granulosus tar DNA binding protein 0.0268 0.2927 0.2873
Loa Loa (eye worm) MH2 domain-containing protein 0.0025 0.0115 0.0191
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0077 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0077 1
Brugia malayi Smad1 0.0025 0.0115 0.0096
Loa Loa (eye worm) hypothetical protein 0.0166 0.1749 0.4296
Loa Loa (eye worm) MH1 domain-containing protein 0.0025 0.0115 0.0191
Plasmodium vivax sentrin-specific protease 1, putative 0.0048 0.0387 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.0109 0.0178
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0021 0.0077 0.0096
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0054 0.0454 0.038
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0077 1
Echinococcus multilocularis mothers against decapentaplegic 5 0.0025 0.0115 0.0038
Schistosoma mansoni hypothetical protein 0.0053 0.0437 0.0363
Echinococcus granulosus Smad4 0.0025 0.0115 0.0038
Brugia malayi MH2 domain containing protein 0.0362 0.4019 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0054 0.0454 0.038
Echinococcus multilocularis geminin 0.0879 1 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.0109 0.5
Trypanosoma cruzi DNA polymerase eta, putative 0.0021 0.0077 0.5
Brugia malayi Fli-1 protein 0.0228 0.247 0.6071
Mycobacterium ulcerans DNA polymerase IV 0.0021 0.0077 0.5391
Schistosoma mansoni transcription factor LCR-F1 0.0073 0.0677 0.0605
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0054 0.0454 0.038
Loa Loa (eye worm) latrophilin receptor protein 2 0.0053 0.0437 0.1
Schistosoma mansoni smad 0.0025 0.0115 0.0038
Mycobacterium tuberculosis Conserved hypothetical protein 0.0021 0.0077 0.6031
Brugia malayi Ets-domain containing protein 0.0075 0.0699 0.1579
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0024 0.0109 1
Brugia malayi RNA recognition motif domain containing protein 0.0268 0.2927 0.723
Onchocerca volvulus 0.0024 0.0109 0.5
Echinococcus granulosus mothers against decapentaplegic 5 0.0025 0.0115 0.0038
Loa Loa (eye worm) hypothetical protein 0.0064 0.0573 0.1342
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0077 1
Trypanosoma brucei unspecified product 0.0021 0.0077 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0077 1
Brugia malayi Ets-domain containing protein 0.0075 0.0699 0.1579
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0053 0.0437 0.0363
Loa Loa (eye worm) MH2 domain-containing protein 0.0362 0.4019 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0166 0.1749 0.4296
Schistosoma mansoni hypothetical protein 0.0053 0.0437 0.0363
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0073 0.0677 0.0605
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0842 0.9571 0.9567
Entamoeba histolytica hypothetical protein 0.0073 0.0677 1
Echinococcus multilocularis tar DNA binding protein 0.0268 0.2927 0.2873
Brugia malayi MH2 domain containing protein 0.0025 0.0115 0.0096
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0054 0.0454 0.1044
Schistosoma mansoni tar DNA-binding protein 0.0268 0.2927 0.2873
Schistosoma mansoni tar DNA-binding protein 0.0268 0.2927 0.2873
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0053 0.0437 0.0363
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0024 0.0109 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0109 1
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0025 0.0115 0.0038
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0109 0.0083
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0018 0.0039 0.139
Schistosoma mansoni hypothetical protein 0.0113 0.1141 0.1073
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0021 0.0077 0.6031
Brugia malayi Latrophilin receptor protein 2 0.0053 0.0437 0.0913
Schistosoma mansoni smad1 5 8 and 0.0025 0.0115 0.0038
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0053 0.0437 0.0913
Echinococcus multilocularis GPCR, family 2 0.0053 0.0437 0.0363
Brugia malayi hypothetical protein 0.0073 0.0677 0.1522
Schistosoma mansoni tar DNA-binding protein 0.0268 0.2927 0.2873
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0018 0.0039 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0077 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0077 0.0096
Plasmodium falciparum sentrin-specific protease 1 0.0048 0.0387 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0073 0.0677 0.0605
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0077 0.5
Brugia malayi MH2 domain containing protein 0.0025 0.0115 0.0096
Entamoeba histolytica hypothetical protein 0.0073 0.0677 1
Echinococcus granulosus GPCR family 2 0.0053 0.0437 0.0363
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0109 0.0083
Schistosoma mansoni Smad4 0.0025 0.0115 0.0038
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0053 0.0437 0.0363
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0077 0.5
Echinococcus granulosus GA binding protein alpha chain 0.0075 0.0699 0.0627
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0077 0.5
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0109 1
Schistosoma mansoni ets-related 0.0228 0.247 0.2412
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0077 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0024 0.0109 1
Schistosoma mansoni tar DNA-binding protein 0.0268 0.2927 0.2873
Entamoeba histolytica Ulp1 protease family, C-terminal catalytic domain containing protein 0.0048 0.0387 0.5169
Brugia malayi Ulp1 protease family, C-terminal catalytic domain containing protein 0.0048 0.0387 0.0787
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0109 1
Echinococcus granulosus TGF beta signal transducer SmadC 0.0025 0.0115 0.0038
Loa Loa (eye worm) hypothetical protein 0.0053 0.0437 0.1
Toxoplasma gondii Ulp1 protease family, C-terminal catalytic domain-containing protein 0.0048 0.0387 0.5
Schistosoma mansoni hypothetical protein 0.0053 0.0437 0.0363
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.0109 0.5
Trypanosoma brucei DNA polymerase eta, putative 0.0021 0.0077 1
Schistosoma mansoni smad1 5 8 and 0.0025 0.0115 0.0038
Echinococcus multilocularis Smad4 0.0025 0.0115 0.0038
Schistosoma mansoni family C48 unassigned peptidase (C48 family) 0.0048 0.0387 0.0313
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0054 0.0454 0.038
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0077 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0077 1
Echinococcus multilocularis GA binding protein alpha chain 0.0075 0.0699 0.0627
Mycobacterium ulcerans hypothetical protein 0.0024 0.0109 1
Loa Loa (eye worm) hypothetical protein 0.0113 0.1141 0.277
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0077 1
Schistosoma mansoni hypothetical protein 0.0073 0.0677 0.0605
Schistosoma mansoni family C48 unassigned peptidase (C48 family) 0.0048 0.0387 0.0313
Loa Loa (eye worm) Smad1 0.0025 0.0115 0.0191
Schistosoma mansoni gabp alpha 0.0075 0.0699 0.0627
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0077 1
Giardia lamblia DINP protein human, muc B family 0.0021 0.0077 0.5
Echinococcus granulosus smad 0.0025 0.0115 0.0038
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0024 0.0109 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0109 1
Schistosoma mansoni smad1 5 8 and 0.0025 0.0115 0.0038
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0109 1
Loa Loa (eye worm) RNA binding protein 0.0268 0.2927 0.7257
Schistosoma mansoni hypothetical protein 0.0879 1 1
Brugia malayi latrophilin 2 splice variant baaae 0.0113 0.1141 0.27
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0048 0.0387 1
Entamoeba histolytica hypothetical protein 0.0073 0.0677 1
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0024 0.0109 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.0109 0.0178
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0109 0.0083
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0054 0.0454 0.038
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0077 1
Echinococcus multilocularis sentrin specific protease 1 0.0048 0.0387 0.0313
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0109 0.0544
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0077 0.5
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0075 0.0699 0.1659
Echinococcus multilocularis smad 0.0025 0.0115 0.0038
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0077 1
Loa Loa (eye worm) hypothetical protein 0.0048 0.0387 0.0875
Brugia malayi MH1 domain containing protein 0.0025 0.0115 0.0096
Loa Loa (eye worm) transcription factor SMAD2 0.0362 0.4019 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0166 0.1749 0.4241

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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