Detailed information for compound 770075

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 332.416 | Formula: C18H25FN4O
  • H donors: 1 H acceptors: 2 LogP: 1.21 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCCC1CN(CCN1Cc1ccc(cc1)F)Cc1cnn(c1)C
  • InChi: 1S/C18H25FN4O/c1-21-11-16(10-20-21)12-22-7-8-23(18(14-22)6-9-24)13-15-2-4-17(19)5-3-15/h2-5,10-11,18,24H,6-9,12-14H2,1H3
  • InChiKey: HTCKGLGGFRNLLJ-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
Loa Loa (eye worm) nuclear factor I 0.0014 0.0003 0.0006
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0157 0.212 0.4051
Echinococcus multilocularis lamin dm0 0.0028 0.0216 0.0216
Trypanosoma brucei hypothetical protein, conserved 0.0038 0.0358 0.5
Schistosoma mansoni hypothetical protein 0.0186 0.2552 0.2424
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0358 0.0192
Mycobacterium tuberculosis Probable hydrolase 0.0038 0.0358 0.0889
Mycobacterium ulcerans beta-lactamase 0.0038 0.0358 1
Loa Loa (eye worm) beta-lactamase 0.0038 0.0358 0.0684
Mycobacterium tuberculosis Probable esterase LipL 0.0038 0.0358 0.0889
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0025 0.0174 0.3402
Echinococcus multilocularis smad 0.0025 0.0169 0.0169
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0025 0.0174 0.0333
Loa Loa (eye worm) MH2 domain-containing protein 0.0025 0.0169 0.0322
Loa Loa (eye worm) hypothetical protein 0.0028 0.0216 0.0413
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0019 0.0079 0.5
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.024 0.024
Brugia malayi RNA binding protein 0.0196 0.2703 0.5163
Loa Loa (eye worm) hypothetical protein 0.003 0.024 0.0458
Onchocerca volvulus 0.0028 0.0216 0.0136
Schistosoma mansoni thyroid hormone receptor 0.0141 0.1894 0.1755
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0025 0.0174 0.3402
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0174 0.0326
Brugia malayi hypothetical protein 0.0186 0.2552 0.4874
Loa Loa (eye worm) TAR-binding protein 0.0196 0.2703 0.5166
Schistosoma mansoni thyroid hormone receptor 0.0141 0.1894 0.1755
Echinococcus multilocularis microtubule associated protein 2 0.0688 1 1
Schistosoma mansoni lamin 0.0028 0.0216 0.0048
Echinococcus granulosus lamin dm0 0.0028 0.0216 0.0216
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0025 0.0169 0.0169
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.024 0.024
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.005 0.0533 0.0533
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.024 0.0072
Brugia malayi MH1 domain containing protein 0.0025 0.0169 0.0316
Onchocerca volvulus 0.0028 0.0216 0.0136
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0174 0.3402
Loa Loa (eye worm) hypothetical protein 0.0038 0.0358 0.0684
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0241 0.3372 1
Mycobacterium tuberculosis Conserved protein 0.0038 0.0358 0.0889
Loa Loa (eye worm) hypothetical protein 0.005 0.0533 0.1018
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.005 0.0533 0.0533
Brugia malayi RNA recognition motif domain containing protein 0.0196 0.2703 0.5163
Echinococcus granulosus TGF beta signal transducer SmadC 0.0025 0.0169 0.0169
Mycobacterium ulcerans esterase/lipase LipP 0.0038 0.0358 1
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0025 0.0174 0.3402
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.024 0.0072
Schistosoma mansoni tar DNA-binding protein 0.0196 0.2703 0.2578
Entamoeba histolytica hypothetical protein 0.0186 0.2552 1
Echinococcus multilocularis tar DNA binding protein 0.0196 0.2703 0.2703
Echinococcus granulosus smad 0.0025 0.0169 0.0169
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0186 0.2552 0.2552
Entamoeba histolytica hypothetical protein 0.0186 0.2552 1
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0025 0.0174 0.3402
Loa Loa (eye worm) MH1 domain-containing protein 0.0025 0.0169 0.0322
Loa Loa (eye worm) hypothetical protein 0.0019 0.0079 0.0151
Echinococcus granulosus beta LACTamase domain containing family member 0.0038 0.0358 0.0358
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.024 0.024
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0358 0.5
Entamoeba histolytica hypothetical protein 0.0186 0.2552 1
Schistosoma mansoni lamin 0.0028 0.0216 0.0048
Echinococcus multilocularis musashi 0.0028 0.0216 0.0216
Loa Loa (eye worm) hypothetical protein 0.0025 0.0174 0.0332
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.0216 0.0407
Loa Loa (eye worm) latrophilin receptor protein 2 0.005 0.0533 0.1018
Schistosoma mansoni intermediate filament proteins 0.0028 0.0216 0.0048
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0038 0.0358 0.0889
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0038 0.0358 1
Onchocerca volvulus 0.0038 0.0358 0.0589
Loa Loa (eye worm) hypothetical protein 0.0038 0.0358 0.0684
Schistosoma mansoni tar DNA-binding protein 0.0196 0.2703 0.2578
Brugia malayi intermediate filament protein 0.0028 0.0216 0.0407
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0131 0.1738 0.1738
Loa Loa (eye worm) hypothetical protein 0.0157 0.212 0.4051
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0174 0.3402
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0157 0.212 0.4047
Brugia malayi TAR-binding protein 0.0196 0.2703 0.5163
Brugia malayi MH2 domain containing protein 0.0367 0.5233 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.024 0.0072
Loa Loa (eye worm) hypothetical protein 0.0019 0.0079 0.0151
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0038 0.0358 0.0684
Brugia malayi MH1 domain containing protein 0.0025 0.0169 0.0316
Echinococcus granulosus lamin 0.0028 0.0216 0.0216
Loa Loa (eye worm) MH2 domain-containing protein 0.0367 0.5233 1
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.0022 0.0042
Loa Loa (eye worm) hypothetical protein 0.0038 0.0358 0.0684
Brugia malayi Latrophilin receptor protein 2 0.005 0.0533 0.1013
Brugia malayi beta-lactamase family protein 0.0038 0.0358 0.0678
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.024 0.0072
Plasmodium falciparum acyl-CoA synthetase 0.0019 0.0079 0.5
Loa Loa (eye worm) hypothetical protein 0.0019 0.0079 0.0151
Loa Loa (eye worm) RNA binding protein 0.0196 0.2703 0.5166
Schistosoma mansoni hypothetical protein 0.0131 0.1738 0.1596
Loa Loa (eye worm) transcription factor SMAD2 0.0367 0.5233 1
Brugia malayi latrophilin 2 splice variant baaae 0.0107 0.1385 0.2643
Brugia malayi Pre-SET motif family protein 0.0208 0.2875 0.5492
Toxoplasma gondii ABC1 family protein 0.0038 0.0358 1
Brugia malayi beta-lactamase 0.0038 0.0358 0.0678
Onchocerca volvulus 0.0038 0.0358 0.0589
Schistosoma mansoni hypothetical protein 0.0107 0.1385 0.1237
Loa Loa (eye worm) hypothetical protein 0.0038 0.0358 0.0684
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0358 0.5
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0038 0.0358 0.0678
Loa Loa (eye worm) hypothetical protein 0.0107 0.1385 0.2647
Mycobacterium ulcerans lipase LipD 0.0038 0.0358 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0174 0.0332
Schistosoma mansoni hypothetical protein 0.005 0.0533 0.037
Onchocerca volvulus 0.0236 0.33 1
Plasmodium vivax hypothetical protein, conserved 0.0038 0.0358 1
Schistosoma mansoni transcription factor LCR-F1 0.0186 0.2552 0.2424
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.0216 0.0413
Echinococcus granulosus mothers against decapentaplegic 5 0.0025 0.0169 0.0169
Echinococcus multilocularis mothers against decapentaplegic 5 0.0025 0.0169 0.0169
Onchocerca volvulus 0.0038 0.0358 0.0589
Brugia malayi cytoplasmic intermediate filament protein 0.0015 0.0022 0.0036
Mycobacterium tuberculosis Probable lipase LipE 0.0038 0.0358 0.0889
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0223 0.0223
Loa Loa (eye worm) hypothetical protein 0.0019 0.0079 0.0151
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0025 0.0174 0.0333
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0174 0.0326
Mycobacterium leprae conserved hypothetical protein 0.0038 0.0358 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0358 0.0684
Loa Loa (eye worm) intermediate filament protein 0.0028 0.0216 0.0413
Plasmodium vivax SET domain protein, putative 0.003 0.024 0.5768
Schistosoma mansoni hypothetical protein 0.005 0.0533 0.037
Loa Loa (eye worm) hypothetical protein 0.0014 0.0003 0.0006
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.005 0.0533 0.0533
Echinococcus granulosus Smad4 0.0025 0.0169 0.0169
Brugia malayi Pre-SET motif family protein 0.003 0.024 0.0452
Brugia malayi beta-lactamase family protein 0.0038 0.0358 0.0678
Mycobacterium tuberculosis Conserved protein 0.0038 0.0358 0.0889
Brugia malayi Calcitonin receptor-like protein seb-1 0.0157 0.212 0.4047
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0131 0.1738 0.1738
Loa Loa (eye worm) hypothetical protein 0.0028 0.0208 0.0398
Mycobacterium ulcerans hypothetical protein 0.0025 0.0174 0.3402
Echinococcus multilocularis beta LACTamase domain containing family member 0.0038 0.0358 0.0358
Loa Loa (eye worm) Smad1 0.0025 0.0169 0.0322
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.005 0.0533 0.0533
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0038 0.0358 0.0889
Brugia malayi MH2 domain containing protein 0.0025 0.0169 0.0316
Schistosoma mansoni microtubule-associated protein tau 0.0688 1 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.005 0.0533 0.1013
Trichomonas vaginalis set domain proteins, putative 0.0236 0.33 1
Schistosoma mansoni tar DNA-binding protein 0.0196 0.2703 0.2578
Schistosoma mansoni hypothetical protein 0.005 0.0533 0.037
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0038 0.0358 0.0889
Mycobacterium tuberculosis Probable lipase LipD 0.0038 0.0358 0.0889
Echinococcus granulosus tar DNA binding protein 0.0196 0.2703 0.2703
Loa Loa (eye worm) hypothetical protein 0.0019 0.0079 0.0151
Leishmania major hypothetical protein, conserved 0.0038 0.0358 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0196 0.2703 0.5166
Brugia malayi Smad1 0.0025 0.0169 0.0316
Loa Loa (eye worm) hypothetical protein 0.0025 0.0174 0.0332
Mycobacterium leprae Probable lipase LipE 0.0038 0.0358 1
Echinococcus granulosus GPCR family 2 0.005 0.0533 0.0533
Brugia malayi MH2 domain containing protein 0.0025 0.0169 0.0316
Echinococcus granulosus intermediate filament protein 0.0028 0.0216 0.0216
Echinococcus multilocularis GPCR, family 2 0.005 0.0533 0.0533
Schistosoma mansoni hypothetical protein 0.005 0.0533 0.037
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0174 0.0326
Entamoeba histolytica hypothetical protein 0.0186 0.2552 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0186 0.2552 0.2552
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0019 0.0079 0.0046
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0208 0.2875 0.5494
Mycobacterium ulcerans hypothetical protein 0.0038 0.0358 1
Mycobacterium tuberculosis Conserved protein 0.0038 0.0358 0.0889
Echinococcus multilocularis thyroid hormone receptor alpha 0.0141 0.1894 0.1894
Loa Loa (eye worm) hypothetical protein 0.0038 0.0358 0.0684
Echinococcus multilocularis Smad4 0.0025 0.0169 0.0169
Schistosoma mansoni tar DNA-binding protein 0.0196 0.2703 0.2578
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0174 0.3402
Echinococcus multilocularis lamin 0.0028 0.0216 0.0216
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0358 0.0192
Schistosoma mansoni tar DNA-binding protein 0.0196 0.2703 0.2578
Onchocerca volvulus 0.003 0.024 0.0211

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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