Detailed information for compound 775833

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 399.407 | Formula: C19H24F3N3O3
  • H donors: 2 H acceptors: 3 LogP: 3.76 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(CCC1=NN(C(C1)(O)C(F)(F)F)C(=O)C(=O)NCCc1ccccc1)C
  • InChi: 1S/C19H24F3N3O3/c1-13(2)8-9-15-12-18(28,19(20,21)22)25(24-15)17(27)16(26)23-11-10-14-6-4-3-5-7-14/h3-7,13,28H,8-12H2,1-2H3,(H,23,26)
  • InChiKey: JUTXDCHXIYMVBP-UHFFFAOYSA-N  

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
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0016 0.043 0.0444
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.001 0 0.5
Schistosoma mansoni hypothetical protein 0.0104 0.6611 0.6834
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0048 0.2678 0.2768
Loa Loa (eye worm) hypothetical protein 0.0104 0.6611 0.6611
Entamoeba histolytica hypothetical protein 0.001 0 0.5
Schistosoma mansoni hypothetical protein 0.0048 0.2678 0.2768
Mycobacterium ulcerans NAD-dependent DNA ligase LigA 0.001 0 0.5
Brugia malayi Isocitrate dehydrogenase 0.0016 0.043 0.043
Loa Loa (eye worm) hypothetical protein 0.0048 0.2678 0.2678
Chlamydia trachomatis DNA ligase 0.001 0 0.5
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.043 1
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0016 0.043 1
Echinococcus granulosus GPCR family 2 0.0048 0.2678 0.2768
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0016 0.043 0.0444
Brugia malayi Latrophilin receptor protein 2 0.0048 0.2678 0.2678
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0048 0.2678 0.2768
Trichomonas vaginalis conserved hypothetical protein 0.001 0 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0152 1 1
Loa Loa (eye worm) isocitrate dehydrogenase 0.0016 0.043 0.043
Loa Loa (eye worm) transcription factor SMAD2 0.0125 0.8134 0.8134
Trichomonas vaginalis conserved hypothetical protein 0.001 0 0.5
Schistosoma mansoni hypothetical protein 0.0048 0.2678 0.2768
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0016 0.043 1
Loa Loa (eye worm) potassium voltage-gated channel subfamily Q member 5 0.0066 0.3961 0.3961
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0.043 1
Trichomonas vaginalis conserved hypothetical protein 0.001 0 0.5
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.001 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.001 0 0.5
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0016 0.043 0.0444
Giardia lamblia Replication factor C, subunit 1 0.001 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.001 0 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0104 0.6611 0.6611
Brugia malayi Voltage-gated potassium channel, KCNQ (Kv7-like) alpha-subunit. C. elegans kqt-1 ortholog 0.0147 0.9673 0.9673
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.043 1
Treponema pallidum DNA ligase (lig) 0.001 0 0.5
Wolbachia endosymbiont of Brugia malayi NAD-dependent DNA ligase, Lig 0.001 0 0.5
Schistosoma mansoni hypothetical protein 0.0048 0.2678 0.2768
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0016 0.043 1
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.043 0.5
Loa Loa (eye worm) hypothetical protein 0.0066 0.3961 0.3961
Echinococcus multilocularis potassium voltage gated channel subfamily KQT 0.0147 0.9673 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0048 0.2678 0.2678
Loa Loa (eye worm) hypothetical protein 0.0066 0.3961 0.3961
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0048 0.2678 0.2768
Loa Loa (eye worm) MH2 domain-containing protein 0.0125 0.8134 0.8134
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0016 0.043 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0048 0.2678 0.2768
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0.043 1
Echinococcus multilocularis isocitrate dehydrogenase 0.0016 0.043 0.0444
Schistosoma mansoni hypothetical protein 0.0048 0.2678 0.2768
Brugia malayi Calcitonin receptor-like protein seb-1 0.0152 1 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.043 0.0444
Entamoeba histolytica Activator 1 140 kDa subunit, putative 0.001 0 0.5
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.001 0 0.5
Echinococcus multilocularis GPCR, family 2 0.0048 0.2678 0.2768
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.043 0.0444
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.001 0 0.5
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.043 0.0444
Brugia malayi isocitrate dehydrogenase 0.0016 0.043 0.043
Schistosoma mansoni voltage-gated potassium channel KCNQ 0.0147 0.9673 1
Echinococcus multilocularis potassium voltage gated channel subfamily KQT 0.0066 0.3961 0.4095
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0048 0.2678 0.2678
Brugia malayi MH2 domain containing protein 0.0125 0.8134 0.8134
Echinococcus granulosus potassium voltage gated channel subfamily KQT 0.0066 0.3961 0.4095
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0016 0.043 0.5
Onchocerca volvulus 0.001 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0152 1 1
Loa Loa (eye worm) voltage-gated potassium channel 0.0145 0.9498 0.9498
Mycobacterium leprae PROBABLE DNA LIGASE [NAD DEPENDENT] LIGA (POLYDEOXYRIBONUCLEOTIDE SYNTHASE [NAD+]) 0.001 0 0.5
Echinococcus granulosus potassium channel KvQLT family member kqt 1 0.0147 0.9673 1
Trichomonas vaginalis replication factor C large subunit, putative 0.001 0 0.5

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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