Detailed information for compound 1511290

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 421.436 | Formula: C20H18F3N3O2S
  • H donors: 0 H acceptors: 3 LogP: 4.07 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N1CCC(CC1)c1onc(n1)c1cccs1)Cc1ccccc1C(F)(F)F
  • InChi: 1S/C20H18F3N3O2S/c21-20(22,23)15-5-2-1-4-14(15)12-17(27)26-9-7-13(8-10-26)19-24-18(25-28-19)16-6-3-11-29-16/h1-6,11,13H,7-10,12H2
  • InChiKey: HMCNLUVYLFYQRB-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
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0014 0.1238 0.5
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0034 0.6013 0.5
Echinococcus multilocularis 0.0014 0.1238 0.1248
Mycobacterium leprae Conserved hypothetical protein 0.0014 0.1238 0.5
Loa Loa (eye worm) cytochrome P450 0.0014 0.1238 0.1238
Trypanosoma cruzi cytochrome P450, putative 0.0022 0.325 1
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0014 0.1238 0.5
Mycobacterium leprae putative cytochrome p450 0.0014 0.1238 0.5
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0014 0.1238 0.5
Trypanosoma cruzi cytochrome P450, putative 0.0022 0.325 1
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0014 0.1238 0.5
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0036 0.6578 1
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0036 0.6578 0.6407
Brugia malayi cytochrome P450 0.0014 0.1238 0.08
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0014 0.1238 0.5
Brugia malayi Cytochrome P450 family protein 0.0022 0.325 0.2912
Schistosoma mansoni voltage-gated potassium channel 0.004 0.7367 1
Leishmania major cytochrome p450-like protein 0.0022 0.325 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0477 0.0477
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0014 0.1238 0.5
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0034 0.6013 0.5
Schistosoma mansoni cytochrome P450 0.0014 0.1238 0.1105
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0014 0.1238 0.5
Loa Loa (eye worm) CYP4Cod1 0.0022 0.325 0.325
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0014 0.1238 0.5
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0014 0.1238 0.5
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0014 0.1238 0.5
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0036 0.6578 0.6578
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0022 0.325 1
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0014 0.1238 0.5
Toxoplasma gondii cytochrome p450 superfamily protein 0.0014 0.1238 0.5
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0014 0.1238 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.0022 0.325 0.325
Schistosoma mansoni hypothetical protein 0.0014 0.1238 0.1105
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0014 0.1238 0.5
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0014 0.1238 0.5
Brugia malayi Cytochrome P450 family protein 0.0014 0.1238 0.08
Brugia malayi Cytochrome P450 family protein 0.0022 0.325 0.2912
Trypanosoma brucei cytochrome P450, putative 0.0022 0.325 1
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0014 0.1238 0.5
Echinococcus granulosus cytochrome P450 2K1 0.0014 0.1238 0.1248
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0014 0.1238 0.5
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0014 0.1238 0.5
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0014 0.1238 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.0022 0.325 0.325
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0014 0.1238 0.5
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0036 0.6578 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.5444 0.5444
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0014 0.1238 0.5
Schistosoma mansoni voltage-gated potassium channel 0.004 0.7367 1

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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