Detailed information for compound 1541473

Basic information

Technical information
  • TDR Targets ID: 1541473
  • Name: ZINC00154924
  • MW: 320.367 | Formula: C14H16N4O3S
  • H donors: 1 H acceptors: 4 LogP: 1.06 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N1CCOCC1)CSc1nnc(n1c1ccccc1)O
  • InChi: 1S/C14H16N4O3S/c19-12(17-6-8-21-9-7-17)10-22-14-16-15-13(20)18(14)11-4-2-1-3-5-11/h1-5H,6-10H2,(H,15,20)
  • InChiKey: XSAUHZPMHNRLLV-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
Schistosoma mansoni tar DNA-binding protein 0.0063 0.3168 0.3168
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.1606 0.2334
Schistosoma mansoni tar DNA-binding protein 0.0063 0.3168 0.3168
Entamoeba histolytica hypothetical protein 0.0035 0 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.113 0.113
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.113 0.113
Loa Loa (eye worm) hypothetical protein 0.0049 0.1606 0.2334
Entamoeba histolytica hypothetical protein 0.0035 0 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.113 0.3568
Schistosoma mansoni tar DNA-binding protein 0.0063 0.3168 0.3168
Brugia malayi RNA recognition motif domain containing protein 0.0063 0.3168 1
Echinococcus multilocularis G protein coupled receptor 139 0.0121 1 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.1606 0.5069
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0063 0.3168 1
Schistosoma mansoni neuropeptide receptor 0.0121 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.113 0.113
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.113 0.113
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.113 0.113
Echinococcus granulosus tar DNA binding protein 0.0063 0.3168 0.3168
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.113 0.113
Schistosoma mansoni tar DNA-binding protein 0.0063 0.3168 0.3168
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.113 0.113
Brugia malayi TAR-binding protein 0.0063 0.3168 1
Echinococcus multilocularis neuropeptide receptor 0.0121 1 1
Loa Loa (eye worm) RNA binding protein 0.0063 0.3168 1
Echinococcus multilocularis tar DNA binding protein 0.0063 0.3168 0.3168
Brugia malayi RNA binding protein 0.0063 0.3168 1
Loa Loa (eye worm) TAR-binding protein 0.0063 0.3168 1
Entamoeba histolytica hypothetical protein 0.0035 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0063 0.3168 0.3168
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.1606 0.5069
Entamoeba histolytica hypothetical protein 0.0035 0 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.5221 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 6.3096 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
Plasmodium falciparum ChEMBL23

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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