Detailed information for compound 2076675

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 462.417 | Formula: C19H23F5N6O2
  • H donors: 1 H acceptors: 5 LogP: -0.43 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)C(F)(F)F.Cn1ccnc1CN1CCC(C2(C1)CCN(C2)c1nccnc1)(F)F
  • InChi: 1S/C17H22F2N6.C2HF3O2/c1-23-9-6-22-15(23)11-24-7-3-17(18,19)16(12-24)2-8-25(13-16)14-10-20-4-5-21-14;3-2(4,5)1(6)7/h4-6,9-10H,2-3,7-8,11-13H2,1H3;(H,6,7)
  • InChiKey: RJZYZHVXJOFZEJ-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
Brugia malayi beta-lactamase family protein 0.0023 0.0415 0.0415
Mycobacterium leprae Probable lipase LipE 0.0023 0.0415 0.5
Echinococcus granulosus beta LACTamase domain containing family member 0.0023 0.0415 0.0541
Leishmania major phenylalanine-4-hydroxylase,phenylalanine-4-hydroxylase, putative 0.0048 0.1332 1
Leishmania major hypothetical protein, conserved 0.0023 0.0415 0.3113
Mycobacterium ulcerans esterase/lipase LipP 0.0023 0.0415 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0012 0 0.5
Loa Loa (eye worm) integrin beta-2 0.0279 1 1
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0023 0.0415 0.0814
Loa Loa (eye worm) hypothetical protein 0.0023 0.0415 0.0415
Mycobacterium tuberculosis Conserved protein 0.0023 0.0415 0.0814
Schistosoma mansoni memapsin-2 (A01 family) 0.0169 0.5862 1
Mycobacterium tuberculosis Probable hydrolase 0.0023 0.0415 0.0814
Brugia malayi Kelch motif family protein 0.0042 0.1135 0.1135
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0023 0.0415 0.0415
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0012 0 0.5
Echinococcus multilocularis integrin beta 2 0.0207 0.729 0.9507
Onchocerca volvulus 0.0023 0.0415 0.5
Loa Loa (eye worm) hypothetical protein 0.0217 0.7668 0.7668
Onchocerca volvulus 0.0023 0.0415 0.5
Loa Loa (eye worm) hypothetical protein 0.0042 0.1135 0.1135
Brugia malayi Biopterin-dependent aromatic amino acid hydroxylase family protein 0.0048 0.1332 0.1332
Mycobacterium ulcerans beta-lactamase 0.0023 0.0415 1
Mycobacterium tuberculosis Conserved protein 0.0023 0.0415 0.0814
Trichomonas vaginalis penicillin-binding protein, putative 0.0023 0.0415 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0023 0.0415 0.0415
Trichomonas vaginalis penicillin-binding protein, putative 0.0023 0.0415 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0415 0.0415
Loa Loa (eye worm) beta-lactamase 0.0023 0.0415 0.0415
Brugia malayi beta-lactamase family protein 0.0023 0.0415 0.0415
Toxoplasma gondii phenylalanine-4-hydroxylase 0.0048 0.1332 1
Echinococcus granulosus integrin beta 2 0.0207 0.729 0.9507
Toxoplasma gondii ABC1 family protein 0.0023 0.0415 0.3113
Schistosoma mansoni tyrosine/tryptophan monooxygenase 0.0048 0.1332 0.2273
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0012 0 0.5
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0023 0.0415 0.0814
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0023 0.0415 0.0814
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0023 0.0415 0.0708
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0023 0.0415 0.0708
Mycobacterium ulcerans hypothetical protein 0.0023 0.0415 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0023 0.0415 0.0541
Trypanosoma cruzi hypothetical protein, conserved 0.0023 0.0415 1
Mycobacterium tuberculosis Conserved protein 0.0023 0.0415 0.0814
Trichomonas vaginalis D-aminoacylase, putative 0.0023 0.0415 1
Schistosoma mansoni integrin beta subunit 0.0164 0.5702 0.9727
Loa Loa (eye worm) hypothetical protein 0.0023 0.0415 0.0415
Toxoplasma gondii aromatic amino acid hydrolase AAH1 0.0048 0.1332 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0023 0.0415 1
Mycobacterium tuberculosis Probable lipase LipD 0.0023 0.0415 0.0814
Trichomonas vaginalis D-aminoacylase, putative 0.0023 0.0415 1
Echinococcus granulosus tryptophan hydroxylase 0.0217 0.7668 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0415 0.0415
Trichomonas vaginalis D-aminoacylase, putative 0.0023 0.0415 1
Mycobacterium tuberculosis Probable lipase LipE 0.0023 0.0415 0.0814
Toxoplasma gondii aromatic amino acid hydrolase AAH2 0.0048 0.1332 1
Mycobacterium tuberculosis Probable esterase LipL 0.0023 0.0415 0.0814
Loa Loa (eye worm) hypothetical protein 0.0023 0.0415 0.0415
Treponema pallidum exodeoxyribonuclease (exoA) 0.0012 0 0.5
Trypanosoma brucei hypothetical protein, conserved 0.0023 0.0415 1
Echinococcus multilocularis tryptophan hydroxylase 0.0217 0.7668 1
Schistosoma mansoni tyrosine 3-monooxygenase 0.0048 0.1332 0.2273
Loa Loa (eye worm) kelch domain-containing protein family protein 0.0042 0.1135 0.1135
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0148 0.5095 1
Brugia malayi beta-lactamase 0.0023 0.0415 0.0415
Mycobacterium ulcerans lipase LipD 0.0023 0.0415 1
Loa Loa (eye worm) tryptophan hydroxylase 1 0.0048 0.1332 0.1332
Loa Loa (eye worm) hypothetical protein 0.0023 0.0415 0.0415
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0012 0 0.5
Plasmodium vivax hypothetical protein, conserved 0.0023 0.0415 1
Mycobacterium leprae conserved hypothetical protein 0.0023 0.0415 0.5
Trichomonas vaginalis esterase, putative 0.0023 0.0415 1
Brugia malayi hypothetical protein 0.0042 0.1135 0.1135
Trypanosoma cruzi hypothetical protein, conserved 0.0023 0.0415 1
Onchocerca volvulus 0.0023 0.0415 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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