Detailed information for compound 1151438

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 332.379 | Formula: C17H24F4N2
  • H donors: 1 H acceptors: 0 LogP: 4.2 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(CN(C1CCNCC1)Cc1ccc(cc1F)C(F)(F)F)C
  • InChi: 1S/C17H24F4N2/c1-12(2)10-23(15-5-7-22-8-6-15)11-13-3-4-14(9-16(13)18)17(19,20)21/h3-4,9,12,15,22H,5-8,10-11H2,1-2H3
  • InChiKey: RYBKAECQSIBTTL-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 TAR-binding protein 0.0131 0.3675 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0229 0.7211 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0257 0.0257
Brugia malayi latrophilin 2 splice variant baaae 0.0069 0.1446 0.3936
Schistosoma mansoni hypothetical protein 0.0032 0.0114 0.0114
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0257 0.5
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0032 0.0114 0.0114
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0643 0.0643
Mycobacterium leprae conserved hypothetical protein 0.0036 0.0257 0.5
Toxoplasma gondii ABC1 family protein 0.0036 0.0257 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0032 0.0114 0.0114
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.0643 0.0643
Plasmodium vivax hypothetical protein, conserved 0.0036 0.0257 1
Echinococcus granulosus L aminoadipate semialdehyde 0.0081 0.1889 0.1889
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0257 0.0257
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0257 0.0699
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0257 0.5
Loa Loa (eye worm) hypothetical protein 0.0032 0.0114 0.0114
Echinococcus granulosus geminin 0.0169 0.504 0.504
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0081 0.1889 0.514
Loa Loa (eye worm) hypothetical protein 0.0036 0.0257 0.0257
Brugia malayi beta-lactamase family protein 0.0036 0.0257 0.0699
Loa Loa (eye worm) latrophilin receptor protein 2 0.0032 0.0114 0.0114
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0081 0.1889 0.1889
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0643 0.0643
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0257 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0131 0.3675 0.3675
Echinococcus multilocularis snurportin 1 0.0307 1 1
Echinococcus granulosus GPCR family 2 0.0032 0.0114 0.0114
Loa Loa (eye worm) hypothetical protein 0.0036 0.0257 0.0257
Schistosoma mansoni tar DNA-binding protein 0.0131 0.3675 0.3675
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0036 0.0257 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0643 0.0643
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.0257 0.0257
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0643 0.0643
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0257 0.5
Schistosoma mansoni hypothetical protein 0.0069 0.1446 0.1446
Schistosoma mansoni tar DNA-binding protein 0.0131 0.3675 0.3675
Loa Loa (eye worm) hypothetical protein 0.0036 0.0257 0.0257
Schistosoma mansoni hypothetical protein 0.0307 1 1
Schistosoma mansoni hypothetical protein 0.0032 0.0114 0.0114
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0032 0.0114 0.0114
Echinococcus multilocularis geminin 0.0169 0.504 0.504
Loa Loa (eye worm) hypothetical protein 0.0036 0.0257 0.0257
Leishmania major hypothetical protein, conserved 0.0036 0.0257 0.5
Mycobacterium ulcerans esterase/lipase LipP 0.0036 0.0257 0.5
Mycobacterium ulcerans hypothetical protein 0.0036 0.0257 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0101 0.2594 0.706
Brugia malayi Calcitonin receptor-like protein seb-1 0.0101 0.2594 0.706
Mycobacterium ulcerans beta-lactamase 0.0036 0.0257 0.5
Echinococcus granulosus tar DNA binding protein 0.0131 0.3675 0.3675
Schistosoma mansoni hypothetical protein 0.0169 0.504 0.504
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0257 0.5
Echinococcus multilocularis L aminoadipate semialdehyde 0.0081 0.1889 0.1889
Schistosoma mansoni tar DNA-binding protein 0.0131 0.3675 0.3675
Loa Loa (eye worm) RNA binding protein 0.0131 0.3675 0.3675
Schistosoma mansoni hypothetical protein 0.0032 0.0114 0.0114
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0257 0.5
Loa Loa (eye worm) hypothetical protein 0.0081 0.1889 0.1889
Loa Loa (eye worm) beta-lactamase 0.0036 0.0257 0.0257
Mycobacterium leprae Probable lipase LipE 0.0036 0.0257 0.5
Schistosoma mansoni hypothetical protein 0.0032 0.0114 0.0114
Brugia malayi RNA recognition motif domain containing protein 0.0131 0.3675 1
Mycobacterium ulcerans lipase LipD 0.0036 0.0257 0.5
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0257 0.0257
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0032 0.0114 0.0311
Brugia malayi beta-lactamase 0.0036 0.0257 0.0699
Brugia malayi Latrophilin receptor protein 2 0.0032 0.0114 0.0311
Onchocerca volvulus 0.0081 0.1889 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0257 0.0257
Schistosoma mansoni hypothetical protein 0.0169 0.504 0.504
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0643 0.0643
Brugia malayi RNA binding protein 0.0131 0.3675 1
Schistosoma mansoni tar DNA-binding protein 0.0131 0.3675 0.3675
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.0643 0.1748
Loa Loa (eye worm) hypothetical protein 0.0069 0.1446 0.1446
Brugia malayi RNA, U transporter 1 0.0082 0.1906 0.5185
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0032 0.0114 0.0114
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0101 0.2594 0.2594
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0643 0.0643
Trichomonas vaginalis esterase, putative 0.0036 0.0257 0.5
Plasmodium falciparum importin beta, putative 0.0029 0 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0257 0.5
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0257 0.0257
Brugia malayi beta-lactamase family protein 0.0036 0.0257 0.0699
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.0257 0.0257
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.0257 1
Schistosoma mansoni tar DNA-binding protein 0.0131 0.3675 0.3675
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0307 1 1
Loa Loa (eye worm) hypothetical protein 0.0101 0.2594 0.2594
Echinococcus multilocularis GPCR, family 2 0.0032 0.0114 0.0114
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0643 0.0643
Echinococcus multilocularis tar DNA binding protein 0.0131 0.3675 0.3675
Loa Loa (eye worm) TAR-binding protein 0.0131 0.3675 0.3675

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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