Detailed information for compound 806641

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 454.537 | Formula: C25H31FN4O3
  • H donors: 1 H acceptors: 3 LogP: 3.2 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CNC(=O)c1cn(cc(c1=O)C(=O)N1CCN(CC1)Cc1cccc(c1)F)C1CCCCC1
  • InChi: 1S/C25H31FN4O3/c1-27-24(32)21-16-30(20-8-3-2-4-9-20)17-22(23(21)31)25(33)29-12-10-28(11-13-29)15-18-6-5-7-19(26)14-18/h5-7,14,16-17,20H,2-4,8-13,15H2,1H3,(H,27,32)
  • InChiKey: HEPSKZMOLVAJBP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

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) hypothetical protein 0.0035 0.0008 0.0008
Brugia malayi Mitochondrial import inner membrane translocase subunit Tim17 family protein 0.004 0.0027 0.0027
Echinococcus multilocularis expressed protein 0.0047 0.0058 0.005
Leishmania major alpha glucosidase II subunit, putative 0.0481 0.193 1
Mycobacterium ulcerans lipase LipD 0.0035 0.0008 0.5
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0481 0.193 1
Brugia malayi beta-lactamase 0.0035 0.0008 0.0008
Brugia malayi Amylo-alpha-1,6-glucosidase family protein 0.012 0.0374 0.0374
Echinococcus multilocularis neutral alpha glucosidase AB 0.0481 0.193 0.1923
Onchocerca volvulus Glucosylceramidase homolog 0.1116 0.4664 0.4705
Trichomonas vaginalis alpha-glucosidase, putative 0.0199 0.0712 0.0982
Trichomonas vaginalis glucosylceramidase, putative 0.17 0.7184 1
Echinococcus multilocularis non lysosomal glucosylceramidase 0.1841 0.779 0.7788
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0008 0.5
Trichomonas vaginalis sucrase-isomaltase, putative 0.0481 0.193 0.2678
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0199 0.0712 0.0982
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0199 0.0712 0.3665
Loa Loa (eye worm) hypothetical protein 0.0049 0.0067 0.0067
Trichomonas vaginalis glucosylceramidase, putative 0.17 0.7184 1
Trichomonas vaginalis glucosylceramidase, putative 0.17 0.7184 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0481 0.193 0.2678
Echinococcus granulosus expressed protein 0.0047 0.0058 0.005
Schistosoma mansoni hypothetical protein 0.0155 0.0522 0.0527
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.17 0.7184 0.7184
Schistosoma mansoni alpha glucosidase 0.0481 0.193 0.1949
Echinococcus multilocularis lysosomal alpha glucosidase 0.2354 1 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0008 0.0008
Trichomonas vaginalis alpha-glucosidase, putative 0.0481 0.193 0.2678
Loa Loa (eye worm) transcription factor SMAD2 0.0118 0.0362 0.0362
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.2354 1 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0481 0.193 0.2678
Echinococcus multilocularis mitochondrial import inner membrane translocase subunit TIM23, putative 0.004 0.0027 0.0019
Echinococcus multilocularis ceramide glucosyltransferase 0.2331 0.9903 0.9902
Trichomonas vaginalis alpha-glucosidase, putative 0.0199 0.0712 0.0982
Loa Loa (eye worm) amylo-alpha-1,6-glucosidase 0.0059 0.0108 0.0108
Schistosoma mansoni mitochondrial import inner membrane translocase subunit tim10 0.0047 0.0058 0.0059
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0481 0.193 0.193
Mycobacterium leprae Probable lipase LipE 0.0035 0.0008 0.5
Brugia malayi Mitochondrial import inner membrane translocase subunit Tim17 family protein 0.004 0.0027 0.0027
Loa Loa (eye worm) hypothetical protein 0.004 0.0027 0.0027
Toxoplasma gondii mitochondrial inner membrane translocase subunit TIM17, putative 0.004 0.0027 0.01
Echinococcus multilocularis transient receptor potential cation channel 0.0322 0.1245 0.1238
Loa Loa (eye worm) hypothetical protein 0.0035 0.0008 0.0008
Loa Loa (eye worm) hypothetical protein 0.0035 0.0008 0.0008
Brugia malayi hypothetical protein 0.0036 0.0011 0.0011
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0303 0.1162 0.1162
Trichomonas vaginalis glucosylceramidase, putative 0.17 0.7184 1
Schistosoma mansoni bile acid beta-glucosidase-related 0.1841 0.779 0.7867
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0008 0.5
Trichomonas vaginalis alpha-glucosidase, putative 0.0481 0.193 0.2678
Loa Loa (eye worm) ceramide glucosyltransferase 0.2331 0.9903 0.9903
Mycobacterium ulcerans beta-lactamase 0.0035 0.0008 0.5
Brugia malayi beta-lactamase family protein 0.0035 0.0008 0.0008
Trichomonas vaginalis alpha-glucosidase, putative 0.0199 0.0712 0.0982
Loa Loa (eye worm) transport to inner mitochondrial membrane family member 0.0047 0.0058 0.0058
Trichomonas vaginalis glycogen debranching enzyme, putative 0.012 0.0374 0.0509
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0067 0.0067
Trichomonas vaginalis maltase-glucoamylase, putative 0.0199 0.0712 0.0982
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0067 0.0067
Loa Loa (eye worm) hypothetical protein 0.0035 0.0008 0.0008
Brugia malayi Glycosyl hydrolases family 31 protein 0.0481 0.193 0.193
Echinococcus granulosus ankyrin repeat protein 0.0316 0.1215 0.1208
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0481 0.193 0.2678
Plasmodium vivax mitochondrial import inner membrane translocase subunit TIM10, putative 0.0047 0.0058 1
Schistosoma mansoni ceramide glucosyltransferase 0.2331 0.9903 1
Schistosoma mansoni hypothetical protein 0.004 0.0027 0.0028
Brugia malayi Ceramide glucosyltransferase 0.2331 0.9903 0.9903
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.17 0.7184 0.7184
Toxoplasma gondii Amylo-alpha-1,6-glucosidase 0.012 0.0374 0.1902
Echinococcus granulosus transient receptor potential cation channel 0.0322 0.1243 0.1236
Trichomonas vaginalis glucosylceramidase, putative 0.1116 0.4664 0.6488
Plasmodium falciparum mitochondrial import inner membrane translocase subunit TIM10, putative 0.0047 0.0058 1
Schistosoma mansoni alpha-glucosidase 0.2071 0.8783 0.8869
Echinococcus multilocularis ankyrin repeat protein 0.0316 0.1215 0.1208
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0199 0.0712 0.0982
Trypanosoma cruzi hypothetical protein, conserved 0.0481 0.193 1
Brugia malayi MH2 domain containing protein 0.0118 0.0362 0.0362
Trypanosoma brucei glycosyl hydrolase-like protein 0.0199 0.0712 0.3665
Schistosoma mansoni bile acid beta-glucosidase-related 0.1841 0.779 0.7867
Leishmania major glycosyl hydrolase-like protein 0.0199 0.0712 0.3665
Loa Loa (eye worm) hypothetical protein 0.1243 0.5211 0.5211
Loa Loa (eye worm) hypothetical protein 0.012 0.0374 0.0374
Brugia malayi hypothetical protein 0.0036 0.0011 0.0011
Brugia malayi RNA, U transporter 1 0.0081 0.0203 0.0203
Toxoplasma gondii mitochondrial import inner membrane translocase subunit TIM10, putative 0.0047 0.0058 0.0259
Trichomonas vaginalis alpha-glucosidase, putative 0.0481 0.193 0.2678
Trichomonas vaginalis glucosylceramidase, putative 0.1116 0.4664 0.6488
Loa Loa (eye worm) hypothetical protein 0.0199 0.0712 0.0712
Trichomonas vaginalis glucosylceramidase, putative 0.1116 0.4664 0.6488
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0481 0.193 1
Mycobacterium ulcerans hypothetical protein 0.0035 0.0008 0.5
Schistosoma mansoni alpha-glucosidase 0.2071 0.8783 0.8869
Echinococcus granulosus snurportin 1 0.0303 0.1162 0.1155
Onchocerca volvulus Ceramide glucosyltransferase homolog 0.2331 0.9903 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0008 0.5
Brugia malayi Mitochondrial import inner membrane translocase subunit Tim17 family protein 0.004 0.0027 0.0027
Schistosoma mansoni hypothetical protein 0.0303 0.1162 0.1174
Schistosoma mansoni ceramide glucosyltransferase 0.2331 0.9903 1
Trypanosoma cruzi hypothetical protein, conserved 0.0481 0.193 1
Trichomonas vaginalis glucosylceramidase, putative 0.1116 0.4664 0.6488
Brugia malayi Mitochondrial import inner membrane translocase subunit TIM10 0.0047 0.0058 0.0058
Loa Loa (eye worm) hypothetical protein 0.0035 0.0008 0.0008
Echinococcus multilocularis glycogen debranching enzyme 0.012 0.0374 0.0366
Trichomonas vaginalis alpha-glucosidase, putative 0.0199 0.0712 0.0982
Toxoplasma gondii TIM10 family protein, putative 0.0047 0.0058 0.0259
Trichomonas vaginalis conserved hypothetical protein 0.0062 0.0121 0.0158
Trichomonas vaginalis glucosylceramidase, putative 0.1176 0.4923 0.6849
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0227 0.0832 1
Trichomonas vaginalis glucosylceramidase, putative 0.17 0.7184 1
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0199 0.0712 0.3665
Echinococcus multilocularis snurportin 1 0.0303 0.1162 0.1155
Echinococcus granulosus glycogen debranching enzyme 0.012 0.0374 0.0366
Echinococcus granulosus neutral alpha glucosidase AB 0.0481 0.193 0.1923
Brugia malayi beta-lactamase family protein 0.0035 0.0008 0.0008
Trichomonas vaginalis maltase-glucoamylase, putative 0.0481 0.193 0.2678
Echinococcus granulosus bile acid beta glucosidase 0.1841 0.779 0.7788
Trichomonas vaginalis glucosylceramidase, putative 0.17 0.7184 1
Echinococcus multilocularis bile acid beta glucosidase 0.1841 0.779 0.7788
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0481 0.193 1
Schistosoma mansoni transient receptor potential cation channel subfamily A member 0.0316 0.1215 0.1227
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0199 0.0712 0.2177
Trichomonas vaginalis alpha-glucosidase, putative 0.0199 0.0712 0.0982
Brugia malayi Glycosyl hydrolases family 31 protein 0.0199 0.0712 0.0712
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0008 0.0008
Loa Loa (eye worm) hypothetical protein 0.0035 0.0008 0.0008
Trichomonas vaginalis glucosylceramidase, putative 0.1176 0.4923 0.6849
Echinococcus granulosus non lysosomal glucosylceramidase 0.1841 0.779 0.7788
Echinococcus granulosus ceramide glucosyltransferase 0.2331 0.9903 0.9902
Echinococcus granulosus lysosomal alpha glucosidase 0.2354 1 1
Trypanosoma brucei glucosidase, putative 0.0481 0.193 1
Loa Loa (eye worm) beta-lactamase 0.0035 0.0008 0.0008
Plasmodium vivax mitochondrial import inner membrane translocase subunit TIM23, putative 0.004 0.0027 0.3858
Giardia lamblia Ceramide glucosyltransferase 0.1057 0.441 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0118 0.0362 0.0362
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0067 0.0067
Trichomonas vaginalis alpha-glucosidase, putative 0.0481 0.193 0.2678
Trichomonas vaginalis glucosylceramidase, putative 0.1116 0.4664 0.6488
Echinococcus multilocularis lysosomal alpha glucosidase 0.2354 1 1
Onchocerca volvulus 0.1392 0.5854 0.5908
Trichomonas vaginalis glucosylceramidase, putative 0.1116 0.4664 0.6488
Trichomonas vaginalis glycogen debranching enzyme, putative 0.012 0.0374 0.0509
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0008 0.0008
Onchocerca volvulus Uncharacterized family 31 glucosidase KIAA1161 homolog 0.0199 0.0712 0.0712
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0008 0.0008
Trichomonas vaginalis glucosylceramidase, putative 0.1116 0.4664 0.6488
Schistosoma mansoni hypothetical protein 0.0087 0.023 0.0232

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.