Detailed information for compound 1801847

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 290.344 | Formula: C14H17F3OS
  • H donors: 0 H acceptors: 1 LogP: 5.34 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C(F)(F)F)CSc1ccc(cc1C)C(C)(C)C
  • InChi: 1S/C14H17F3OS/c1-9-7-10(13(2,3)4)5-6-11(9)19-8-12(18)14(15,16)17/h5-7H,8H2,1-4H3
  • InChiKey: MTWFCFMADXNPDZ-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
Wolbachia endosymbiont of Brugia malayi ABC-type protease secretion system, ATPase and permease component, AprD 0.0004 0 0.5
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0012 0.0062 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0012 0.0062 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0012 0.0062 1
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0012 0.0062 1
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0012 0.0062 1
Echinococcus granulosus 5'partial|ATP binding cassette sub family B 0.0012 0.0061 0.9841
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0012 0.0062 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0012 0.0062 1
Brugia malayi multidrug resistance protein 3 0.0012 0.0062 0.0085
Mycobacterium leprae PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER 0.0004 0 0.5
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0012 0.0062 1
Schistosoma mansoni multidrug resistance protein 0.0012 0.0062 1
Trichomonas vaginalis ABC transporter, putative 0.0012 0.0062 1
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.0004 0 0.5
Echinococcus multilocularis multidrug resistance protein 1 0.0012 0.0062 1
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0012 0.0062 1
Trypanosoma brucei telomerase reverse transcriptase 0.0358 0.2711 1
Echinococcus multilocularis multidrug resistance protein 1 0.0012 0.0062 1
Entamoeba histolytica P-glycoprotein-2 0.0012 0.0062 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0012 0.0062 1
Echinococcus granulosus multidrug resistance protein 1 0.0008 0.0035 0.5606
Echinococcus multilocularis multidrug resistance protein 1 0.0008 0.0035 0.5606
Brugia malayi ABC transporter family protein 0.0012 0.0062 0.0085
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0012 0.0062 1
Mycobacterium ulcerans drugs-transport transmembrane ATP-binding protein ABC transporter 0.0004 0 0.5
Plasmodium vivax multidrug resistance protein 1, putative 0.0012 0.0062 0.0229
Echinococcus multilocularis ATP binding cassette sub family B 0.0012 0.0061 0.9841
Echinococcus granulosus multidrug resistance protein 1 0.0012 0.0062 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0062 1
Plasmodium falciparum multidrug resistance protein 1 0.0012 0.0062 0.0229
Trichomonas vaginalis ABC transporter, putative 0.0012 0.0062 1
Entamoeba histolytica P-glycoprotein-1 0.0012 0.0062 1
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0012 0.0062 1
Trichomonas vaginalis ABC transporter, putative 0.0012 0.0062 1
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.0004 0 0.5
Entamoeba histolytica P-glycoprotein-2, putative 0.0012 0.0062 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0012 0.0062 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0008 0.0035 0.5606
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0012 0.0062 1
Mycobacterium tuberculosis Probable transmembrane multidrug efflux pump 0.0012 0.0062 1
Entamoeba histolytica P-glycoprotein-2 0.0012 0.0062 1
Trichomonas vaginalis abcb9, putative 0.0012 0.0062 1
Entamoeba histolytica P-glyco protein 6, putative 0.0012 0.0062 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0012 0.0062 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0061 0.9841
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0012 0.0062 1
Schistosoma mansoni multidrug resistance protein 0.0012 0.0062 1
Echinococcus granulosus multidrug resistance protein 1 0.0012 0.0062 1
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.0004 0 0.5
Trichomonas vaginalis abcb9, putative 0.0012 0.0062 1
Mycobacterium leprae PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER 0.0004 0 0.5
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0012 0.0062 1
Echinococcus granulosus multidrug resistance protein 1 0.0012 0.0062 1
Loa Loa (eye worm) multidrug resistance protein 3 0.0012 0.0062 1
Trichomonas vaginalis abcb9, putative 0.0012 0.0062 1
Leishmania major ATP-binding cassette protein subfamily B, member 2, putative 0.0012 0.0062 0.0229
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0012 0.0062 1
Wolbachia endosymbiont of Brugia malayi ABC-type multidrug transport system, ATPase and permease component 0.0004 0 0.5
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0012 0.0062 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0062 1
Trichomonas vaginalis taga, putative 0.0012 0.0062 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0012 0.0062 1
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0012 0.0062 1
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0012 0.0062 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0012 0.0062 1
Schistosoma mansoni smdr2 0.0012 0.0062 1
Mycobacterium ulcerans component linked with the assembly of cytochrome transport transmembrane ATP-binding protein ABC transporter CydD 0.0004 0 0.5
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0012 0.0062 1
Schistosoma mansoni multidrug resistance protein 0.0012 0.0062 1
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0358 0.2711 1
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0012 0.0062 1
Entamoeba histolytica P-glycoprotein 5, putative 0.0012 0.0062 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0012 0.0062 1
Leishmania major p-glycoprotein 0.0012 0.0062 0.0229
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0012 0.0062 1
Trichomonas vaginalis ABC transporter, putative 0.0012 0.0062 1
Toxoplasma gondii ATP-binding cassette transporter ABC.B1 0.0012 0.0062 0.0229
Brugia malayi Telomerase reverse transcriptase 0.0952 0.7261 1
Echinococcus granulosus multidrug resistance protein 1 0.0008 0.0035 0.5606
Entamoeba histolytica P-glycoprotein-5 0.0012 0.0062 1
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0358 0.2711 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0012 0.0062 1
Toxoplasma gondii RNA-directed DNA polymerase 0.0358 0.2711 1
Plasmodium falciparum telomerase reverse transcriptase 0.0358 0.2711 1
Leishmania major telomerase reverse transcriptase, putative 0.0358 0.2711 1
Plasmodium vivax telomerase reverse transcriptase, putative 0.0358 0.2711 1
Giardia lamblia Telomerase catalytic subunit 0.0358 0.2711 1
Loa Loa (eye worm) ATP-binding cassette sub-family B member 2 0.0012 0.0062 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0012 0.0062 1
Chlamydia trachomatis ABC transporter ATP binding protein/permease 0.0012 0.0062 0.5
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0012 0.0062 0.0229
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0012 0.0062 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0012 0.0062 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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