Detailed information for compound 1154414

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 377.461 | Formula: C17H23N5O3S
  • H donors: 1 H acceptors: 5 LogP: 0.31 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1onc(c1S(=O)(=O)N1CCc2c(C1)cnc(n2)C1CCNCC1)C
  • InChi: 1S/C17H23N5O3S/c1-11-16(12(2)25-21-11)26(23,24)22-8-5-15-14(10-22)9-19-17(20-15)13-3-6-18-7-4-13/h9,13,18H,3-8,10H2,1-2H3
  • InChiKey: POKCDOQSZONPCM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

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 lamin 0.0028 0.0427 0.0397
Entamoeba histolytica hypothetical protein 0.0025 0.0305 1
Schistosoma mansoni ran 0.0022 0.0231 0.02
Echinococcus multilocularis lamin dm0 0.0028 0.0427 0.0397
Trypanosoma brucei importin beta-1 subunit, putative 0.003 0.049 1
Onchocerca volvulus 0.0028 0.0427 0.5
Toxoplasma gondii HEAT repeat-containing protein 0.003 0.049 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.0031 0.0031
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.0427 0.0655
Loa Loa (eye worm) hypothetical protein 0.0216 0.6518 0.6518
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.0016 0.0031 0.0048
Plasmodium vivax importin-beta 2, putative 0.003 0.049 1
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0022 0.0231 1
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.0305 1
Loa Loa (eye worm) PDE1B protein 0.0016 0.0031 0.0031
Brugia malayi Probable 3',5'-cyclic phosphodiesterase C32E12.2, putative 0.0016 0.0031 0.0048
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.0016 0.0031 0.0048
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0022 0.0231 0.0231
Trypanosoma brucei importin beta-1 subunit, putative 0.003 0.049 1
Onchocerca volvulus 0.0028 0.0427 0.5
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0022 0.0231 0.0354
Brugia malayi RNA, U transporter 1 0.0086 0.2303 0.3533
Brugia malayi Probable 3',5'-cyclic phosphodiesterase R153.1, putative 0.0016 0.0031 0.0048
Schistosoma mansoni lamin 0.0028 0.0427 0.0397
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0323 1 1
Trichomonas vaginalis ran, putative 0.0022 0.0231 0.7308
Loa Loa (eye worm) hypothetical protein 0.0028 0.0427 0.0427
Echinococcus granulosus intermediate filament protein 0.0028 0.0427 0.0397
Trichomonas vaginalis importin beta-1, putative 0.0025 0.0305 1
Echinococcus multilocularis importin subunit beta 1 0.003 0.049 0.0461
Trypanosoma cruzi importin beta-1 subunit, putative 0.0025 0.0305 1
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0022 0.0231 0.435
Loa Loa (eye worm) hypothetical protein 0.0016 0.0031 0.0031
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.0305 1
Echinococcus granulosus importin subunit beta 1 0.003 0.049 0.0461
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0022 0.0231 0.7308
Loa Loa (eye worm) hypothetical protein 0.0199 0.5994 0.5994
Loa Loa (eye worm) intermediate filament protein 0.0028 0.0427 0.0427
Brugia malayi Importin beta-1 subunit 0.003 0.049 0.0752
Echinococcus granulosus lamin dm0 0.0028 0.0427 0.0397
Loa Loa (eye worm) calcium/calmodulin-stimulated cyclic nucleotide phosphodiesterase 0.0216 0.6518 0.6518
Plasmodium falciparum importin beta, putative 0.003 0.049 1
Leishmania major GTP-binding protein, putative 0.0022 0.0231 0.7308
Echinococcus granulosus GTP binding nuclear protein Ran 0.0022 0.0231 0.02
Echinococcus multilocularis musashi 0.0028 0.0427 0.0397
Schistosoma mansoni ran 0.0022 0.0231 0.02
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0022 0.0231 0.435
Brugia malayi Probable 3',5'-cyclic phosphodiesterase T04D3.3, putative 0.0016 0.0031 0.0048
Schistosoma mansoni camp-specific cyclic nucleotide phosphodiesterase 0.0216 0.6518 0.6507
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0022 0.0231 0.435
Loa Loa (eye worm) hypothetical protein 0.0199 0.5994 0.5994
Schistosoma mansoni hypothetical protein 0.0323 1 1
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0022 0.0231 0.7308
Loa Loa (eye worm) hypothetical protein 0.0199 0.5994 0.5994
Loa Loa (eye worm) hypothetical protein 0.003 0.049 0.049
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.0427 0.0427
Schistosoma mansoni importin beta-1 0.003 0.049 0.0461
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0022 0.0231 0.02
Schistosoma mansoni lamin 0.0028 0.0427 0.0397
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.0216 0.6518 1
Schistosoma mansoni intermediate filament proteins 0.0028 0.0427 0.0397
Loa Loa (eye worm) hypothetical protein 0.0016 0.0031 0.0031
Loa Loa (eye worm) hypothetical protein 0.0028 0.041 0.041
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0022 0.0231 0.435
Leishmania major importin beta-1 subunit, putative 0.0025 0.0305 1
Echinococcus multilocularis snurportin 1 0.0323 1 1
Brugia malayi intermediate filament protein 0.0028 0.0427 0.0655
Echinococcus granulosus lamin 0.0028 0.0427 0.0397

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.