Detailed information for compound 1506820

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 466.891 | Formula: C22H25ClF6N2
  • H donors: 2 H acceptors: 0 LogP: 6.26 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: FC(c1ccc(cc1)CNC1CCCCC1NCc1ccc(cc1)C(F)(F)F)(F)F.Cl
  • InChi: 1S/C22H24F6N2.ClH/c23-21(24,25)17-9-5-15(6-10-17)13-29-19-3-1-2-4-20(19)30-14-16-7-11-18(12-8-16)22(26,27)28;/h5-12,19-20,29-30H,1-4,13-14H2;1H
  • InChiKey: YSKVPZZYUGXFKP-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
Plasmodium vivax unspecified product 0.032 0.0928 0.3226
Onchocerca volvulus Cathepsin L homolog 0.0596 0.2876 1
Loa Loa (eye worm) fibroinase 0.0596 0.2876 0.2876
Trypanosoma cruzi cysteine proteinase, putative 0.032 0.0928 0.1649
Echinococcus granulosus cysteine protease 0.032 0.0928 0.0893
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0596 0.2876 1
Brugia malayi Papain family cysteine protease containing protein 0.0596 0.2876 0.2876
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0596 0.2876 1
Schistosoma mansoni glutamyl-tRNA(Gln) amidotransferase subunit A 0.0194 0.0038 0.0038
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0596 0.2876 1
Leishmania major cathepsin L-like protease 0.0596 0.2876 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0596 0.2876 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0596 0.2876 1
Loa Loa (eye worm) hypothetical protein 0.0985 0.5624 0.5624
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0596 0.2876 1
Echinococcus granulosus cathepsin b 0.0985 0.5624 0.5608
Schistosoma mansoni fatty-acid amide hydrolase 0.0194 0.0038 0.0038
Onchocerca volvulus Cathepsin L homolog 0.0596 0.2876 1
Plasmodium falciparum cysteine proteinase falcipain 3 0.0596 0.2876 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.032 0.0928 0.1168
Mycobacterium tuberculosis Carboxylesterase LipT 0.0441 0.1781 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0596 0.2876 1
Loa Loa (eye worm) hypothetical protein 0.0407 0.1548 0.1548
Brugia malayi Cathepsin L-like precursor 0.0596 0.2876 0.2876
Loa Loa (eye worm) lipase 0.0283 0.067 0.067
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0596 0.2876 1
Plasmodium vivax vivapain-3 0.032 0.0928 0.3226
Brugia malayi Cathepsin L-like precursor 0.0596 0.2876 0.2876
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0596 0.2876 0.2848
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0596 0.2876 1
Trypanosoma cruzi cysteine peptidase, putative 0.0596 0.2876 0.5113
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0985 0.5624 0.5624
Chlamydia trachomatis glutamyl-tRNA(Gln) amidotransferase subunit A 0.0194 0.0038 0.5
Schistosoma mansoni cathepsin F (C01 family) 0.0596 0.2876 0.2876
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0596 0.2876 1
Echinococcus multilocularis sn1 specific diacylglycerol lipase beta 0.0283 0.067 0.0634
Onchocerca volvulus 0.0596 0.2876 1
Brugia malayi Cathepsin L-like precursor 0.0407 0.1548 0.1548
Onchocerca volvulus 0.0596 0.2876 1
Giardia lamblia Cathepsin B precursor 0.0395 0.1463 0.5
Echinococcus granulosus sn1 specific diacylglycerol lipase beta 0.0283 0.067 0.0634
Trypanosoma brucei lipase domain protein, putative 0.0283 0.067 0.2227
Entamoeba histolytica cysteine proteinase, putative 0.0596 0.2876 1
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0596 0.2876 1
Brugia malayi cathepsin B-like cysteine proteinase 0.0985 0.5624 0.5624
Onchocerca volvulus 0.0596 0.2876 1
Brugia malayi Papain family cysteine protease containing protein 0.032 0.0928 0.0928
Onchocerca volvulus 0.0596 0.2876 1
Onchocerca volvulus Cathepsin F homolog 0.0596 0.2876 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0596 0.2876 1
Leishmania major cathepsin L-like protease 0.0596 0.2876 1
Leishmania major cathepsin L-like protease 0.0596 0.2876 1
Onchocerca volvulus 0.0596 0.2876 1
Loa Loa (eye worm) hypothetical protein 0.0596 0.2876 0.2876
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0596 0.2876 1
Toxoplasma gondii cathepsin CPL 0.0596 0.2876 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0985 0.5624 0.5624
Onchocerca volvulus 0.0596 0.2876 1
Echinococcus multilocularis cathepsin b 0.0985 0.5624 0.5608
Trypanosoma cruzi cruzipain precursor, putative 0.0596 0.2876 0.5113
Trypanosoma cruzi cysteine peptidase, putative 0.032 0.0928 0.1649
Echinococcus multilocularis cysteine protease 0.0596 0.2876 0.2848
Giardia lamblia Cathepsin B precursor 0.0395 0.1463 0.5
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0596 0.2876 1
Leishmania major cathepsin L-like protease 0.0596 0.2876 1
Brugia malayi Cathepsin L-like precursor 0.0596 0.2876 0.2876
Leishmania major cathepsin L-like protease 0.0596 0.2876 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.032 0.0928 0.0928
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0596 0.2876 1
Treponema pallidum aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0194 0.0038 0.5
Loa Loa (eye worm) ctsf protein 0.0596 0.2876 0.2876
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0596 0.2876 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0395 0.1463 0.1463
Loa Loa (eye worm) amidase 0.0194 0.0038 0.0038
Trypanosoma cruzi cysteine peptidase, putative 0.0596 0.2876 0.5113
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0596 0.2876 1
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.032 0.0928 0.1649
Brugia malayi Papain family cysteine protease containing protein 0.032 0.0928 0.0928
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0407 0.1548 0.3978
Mycobacterium leprae PROBABLE GLUTAMYL-TRNA(GLN) AMIDOTRANSFERASE (SUBUNIT A) GATA (Glu-ADT SUBUNIT A) 0.0194 0.0038 0.5
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0596 0.2876 1
Brugia malayi putative amidase 0.0194 0.0038 0.0038
Loa Loa (eye worm) cysteine protease 0.0596 0.2876 0.2876
Leishmania major cysteine peptidase A (CPA) 0.0596 0.2876 1
Onchocerca volvulus 0.0407 0.1548 0.3978
Leishmania major cathepsin L-like protease 0.0596 0.2876 1
Brugia malayi Amidase family protein 0.0194 0.0038 0.0038
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.032 0.0928 0.0928
Plasmodium vivax glutamyl-tRNA(Gln) amidotransferase subunit A, putative 0.0194 0.0038 0.0133
Plasmodium vivax vivapain-2 0.0596 0.2876 1
Entamoeba histolytica cysteine proteinase, putative 0.0596 0.2876 1
Schistosoma mansoni cathepsin F (C01 family) 0.0596 0.2876 0.2876
Trypanosoma cruzi hypothetical protein, conserved 0.0283 0.067 0.1192
Echinococcus granulosus cathepsin l cysteine peptidase 0.0596 0.2876 0.2848
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0985 0.5624 0.5624
Leishmania major hypothetical protein, conserved 0.0283 0.067 0.2227
Mycobacterium ulcerans carboxylesterase, LipT 0.0441 0.1781 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0596 0.2876 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0596 0.2876 1
Plasmodium vivax vivapain-1 0.032 0.0928 0.3226
Echinococcus multilocularis cathepsin L cysteine protease 0.0596 0.2876 0.2848
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0596 0.2876 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0596 0.2876 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0985 0.5624 0.5624
Leishmania major cathepsin L-like protease 0.0596 0.2876 1
Trypanosoma cruzi cysteine protease, putative 0.032 0.0928 0.1649
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0596 0.2876 0.2848
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0596 0.2876 1
Loa Loa (eye worm) amidase 0.0194 0.0038 0.0038
Mycobacterium leprae PROBABLE AMIDASE AMIC (AMINOHYDROLASE) 0.0194 0.0038 0.5
Brugia malayi Cathepsin L-like precursor 0.0596 0.2876 0.2876
Leishmania major cathepsin L-like protease 0.0596 0.2876 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0596 0.2876 1
Brugia malayi Cathepsin L-like precursor 0.0596 0.2876 0.2876
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0985 0.5624 1
Plasmodium falciparum cysteine proteinase falcipain 1 0.032 0.0928 0.3135
Wolbachia endosymbiont of Brugia malayi aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0194 0.0038 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0283 0.067 0.1192
Plasmodium vivax vivapain-2 0.0596 0.2876 1
Trypanosoma cruzi amidase, putative 0.0194 0.0038 0.0068
Loa Loa (eye worm) hypothetical protein 0.0407 0.1548 0.1548
Echinococcus multilocularis cathepsin b 0.0985 0.5624 0.5608
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0596 0.2876 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0596 0.2876 1
Loa Loa (eye worm) cathepsin B 0.0395 0.1463 0.1463
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0596 0.2876 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0596 0.2876 1
Brugia malayi Lipase family protein 0.0283 0.067 0.067
Echinococcus multilocularis cathepsin L cysteine protease 0.0596 0.2876 0.2848
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0596 0.2876 1
Trypanosoma cruzi cysteine peptidase, putative 0.0596 0.2876 0.5113
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0596 0.2876 0.2876
Trypanosoma cruzi cysteine peptidase, putative 0.0596 0.2876 0.5113
Giardia lamblia Cathepsin B precursor 0.0395 0.1463 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0596 0.2876 1
Trypanosoma brucei cysteine peptidase C (CPC) 0.0395 0.1463 0.5021
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0395 0.1463 0.2601
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0395 0.1463 0.3594
Trypanosoma cruzi cysteine proteinase, putative 0.032 0.0928 0.1649
Echinococcus granulosus cathepsin L cysteine proteinase 0.0596 0.2876 0.2848
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0407 0.1548 0.2751
Loa Loa (eye worm) hypothetical protein 0.0407 0.1548 0.1548
Trypanosoma cruzi amidase, putative 0.0194 0.0038 0.0068
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.032 0.0928 0.0928
Echinococcus multilocularis cathepsin L 0.032 0.0928 0.0893
Echinococcus granulosus cathepsin L cysteine protease 0.032 0.0928 0.0893
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.032 0.0928 0.1168
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0596 0.2876 1
Brugia malayi Cathepsin L-like precursor 0.0596 0.2876 0.2876
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0596 0.2876 0.2876
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0596 0.2876 1
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0596 0.2876 1
Echinococcus granulosus cathepsin l1 0.0596 0.2876 0.2848
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0596 0.2876 1
Brugia malayi cathepsin L-like precursor 0.0407 0.1548 0.1548
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0596 0.2876 1
Brugia malayi Amidase family protein 0.0194 0.0038 0.0038
Entamoeba histolytica cysteine proteinase, putative 0.0407 0.1548 0.3182
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.032 0.0928 0.3135
Brugia malayi Cathepsin L-like cysteine proteinase 0.0407 0.1548 0.1548
Onchocerca volvulus 0.0596 0.2876 1
Brugia malayi Cathepsin L-like precursor 0.0407 0.1548 0.1548
Echinococcus granulosus cathepsin L 0.032 0.0928 0.0893
Echinococcus granulosus cathepsin b 0.0985 0.5624 0.5608
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0395 0.1463 0.5021
Echinococcus granulosus cathepsin l1 0.0407 0.1548 0.1515
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0596 0.2876 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0596 0.2876 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.032 0.0928 0.3135
Trypanosoma brucei lipase domain protein, putative 0.0283 0.067 0.2227
Entamoeba histolytica cysteine protease, putative 0.0596 0.2876 1
Echinococcus multilocularis cysteine protease 0.0596 0.2876 0.2848
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0407 0.1548 0.3978
Schistosoma mansoni cathepsin F (C01 family) 0.0407 0.1548 0.1548
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0596 0.2876 1

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) = 0.032 ug ml-1 Antibacterial activity against Escherichia coli after 24 hrs micro dilution assay ChEMBL. 21163555
MIC (functional) = 0.125 ug ml-1 Antifungal activity against Candida albicans MTCC 3017 after 24 hrs micro dilution assay ChEMBL. 21163555

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.