Detailed information for compound 151158

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 467.005 | Formula: C20H23ClN4O3S2
  • H donors: 2 H acceptors: 4 LogP: 3.72 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1c(NC(=O)c2cc(ccc2Cl)S(=O)(=O)NCCCN(C)C)sc2c1CCC2
  • InChi: 1S/C20H23ClN4O3S2/c1-25(2)10-4-9-23-30(27,28)13-7-8-17(21)15(11-13)19(26)24-20-16(12-22)14-5-3-6-18(14)29-20/h7-8,11,23H,3-6,9-10H2,1-2H3,(H,24,26)
  • InChiKey: QGTLZWXBAMZEBJ-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
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0052 0.0031 0.0031
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.0052 0.0031 0.0032
Trichomonas vaginalis reverse transcriptase [C. elegans], putative 0.0046 0 0.5
Trichomonas vaginalis NeSL-1_NeSL reverse transcriptases, putative 0.0046 0 0.5
Onchocerca volvulus 0.0307 0.1317 1
Mycobacterium tuberculosis Possible maturase 0.0046 0 0.5
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0307 0.1317 0.1317
Schistosoma mansoni sodium-dependent amino acid transporter 0.0052 0.0031 0.0031
Entamoeba histolytica kinesin, putative 0.0253 0.1044 0.5
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0235 0.0955 0.7185
Plasmodium falciparum kinesin-5 0.0253 0.1044 1
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0052 0.0031 0.0031
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0052 0.0031 0.0032
Trypanosoma brucei RNA helicase, putative 0.2026 1 1
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0052 0.0031 0.0032
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0052 0.0031 0.0032
Giardia lamblia Kinesin-5 0.0253 0.1044 1
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0052 0.0031 0.0031
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0307 0.1317 1
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0052 0.0031 0.0236
Brugia malayi Kinesin motor domain containing protein 0.0253 0.1044 0.793
Trypanosoma cruzi hypothetical protein, conserved 0.0046 0 0.5
Echinococcus granulosus sodium and chloride dependent glycine 0.0052 0.0031 0.0032
Schistosoma mansoni sodium/chloride dependent transporter 0.0052 0.0031 0.0031
Onchocerca volvulus 0.0052 0.0031 0.0236
Schistosoma mansoni sodium/chloride dependent transporter 0.0052 0.0031 0.0031
Echinococcus multilocularis sodium and chloride dependent glycine 0.0052 0.0031 0.0032
Loa Loa (eye worm) norepinephrine transporter 0.0307 0.1317 1
Brugia malayi follicle stimulating hormone receptor 0.0235 0.0955 0.7252
Loa Loa (eye worm) hypothetical protein 0.0307 0.1317 1
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0052 0.0031 0.0032
Loa Loa (eye worm) cytochrome P450 family protein 0.0057 0.0054 0.0181
Treponema pallidum sodium- and chloride- dependent transporter 0.0307 0.1317 0.5
Echinococcus granulosus serotonin transporter 0.0307 0.1317 0.1373
Loa Loa (eye worm) serotonin transporter b 0.0307 0.1317 1
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0052 0.0031 0.0236
Schistosoma mansoni hypothetical protein 0.1692 0.8315 0.8315
Trichomonas vaginalis reverse transcriptases, putative 0.0046 0 0.5
Echinococcus multilocularis kinesin family 1 0.1945 0.9591 1
Echinococcus granulosus sodium and chloride dependent glycine 0.0052 0.0031 0.0032
Loa Loa (eye worm) hypothetical protein 0.0307 0.1317 1
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0052 0.0031 0.0031
Toxoplasma gondii kinesin motor domain-containing protein 0.0253 0.1044 1
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0052 0.0031 0.5
Echinococcus granulosus kinesin family 1 0.1945 0.9591 1
Onchocerca volvulus 0.0052 0.0031 0.0236
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0052 0.0031 0.0031
Echinococcus multilocularis sodium and chloride dependent glycine 0.0052 0.0031 0.0032
Trichomonas vaginalis reverse transcriptases, putative 0.0046 0 0.5
Onchocerca volvulus 0.0052 0.0031 0.0236
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0052 0.0031 0.0031
Loa Loa (eye worm) hypothetical protein 0.0307 0.1317 1
Loa Loa (eye worm) kinesin-like protein KLP2 0.0253 0.1044 0.788
Brugia malayi Cytochrome P450 family protein 0.0057 0.0054 0.0413
Echinococcus multilocularis serotonin transporter 0.0307 0.1317 0.1373
Brugia malayi hypothetical protein 0.0052 0.0031 0.0236
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0052 0.0031 0.0031
Schistosoma mansoni kinesin eg-5 0.0253 0.1044 0.1044
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0052 0.0031 0.0236
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0052 0.0031 0.0032
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0052 0.0031 0.0032
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0052 0.0031 0.0031
Schistosoma mansoni sodium/chloride dependent transporter 0.0307 0.1317 0.1317
Plasmodium vivax kinesin-5 0.0253 0.1044 1
Loa Loa (eye worm) solute carrier family 6 member 4 0.0307 0.1317 1
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0052 0.0031 0.0236

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 100 uM Antibacterial activity against UDP-MurNAc-pentapeptide synthetase from Streptococcus pneumoniae. ChEMBL. 14684340
IC50 (binding) > 100 uM Antibacterial activity against UDP-MurNAc-pentapeptide synthetase from Streptococcus pneumoniae. ChEMBL. 14684340

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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