Detailed information for compound 1420353

Basic information

Technical information
  • TDR Targets ID: 1420353
  • Name: N-cyclopentyl-1,1-dioxothiolan-3-amine hydroc hloride
  • MW: 239.763 | Formula: C9H18ClNO2S
  • H donors: 1 H acceptors: 2 LogP: 1.44 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=S1(=O)CCC(C1)NC1CCCC1.Cl
  • InChi: 1S/C9H17NO2S.ClH/c11-13(12)6-5-9(7-13)10-8-3-1-2-4-8;/h8-10H,1-7H2;1H
  • InChiKey: KIWWJSGFWQUUDG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-cyclopentyl-1,1-dioxo-thiolan-3-amine hydrochloride
  • N-cyclopentyl-1,1-dioxo-3-thiolanamine hydrochloride
  • cyclopentyl-(1,1-diketothiolan-3-yl)amine hydrochloride
  • T5365003

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 hypothetical protein 0.0016 0.0301 0.0353
Onchocerca volvulus Netrin receptor homolog 0.0014 0 0.5
Echinococcus granulosus ankyrin repeat and death domain containing protein 0.0014 0.00000014065 0.00000014065
Echinococcus granulosus Ankyrin 0.0014 0.0021 0.0021
Brugia malayi TAR-binding protein 0.0065 0.8526 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.6193 0.7264
Echinococcus granulosus GPCR family 2 0.0016 0.0301 0.0301
Echinococcus multilocularis ankyrin repeat and death domain containing protein 0.0014 0.00000014065 0.00000014065
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0065 0.8526 1
Echinococcus multilocularis tar DNA binding protein 0.0065 0.8526 0.8526
Schistosoma mansoni tar DNA-binding protein 0.0065 0.8526 1
Brugia malayi RNA binding protein 0.0065 0.8526 1
Schistosoma mansoni hypothetical protein 0.0035 0.3466 0.4065
Schistosoma mansoni hypothetical protein 0.0016 0.0301 0.0353
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0301 0.0353
Schistosoma mansoni tar DNA-binding protein 0.0065 0.8526 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0301 0.0301
Brugia malayi Uncoordinated protein 44 0.0014 0.00000014065 0.00000016498
Schistosoma mansoni tar DNA-binding protein 0.0065 0.8526 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.6193 0.7264
Echinococcus multilocularis GPCR, family 2 0.0016 0.0301 0.0301
Brugia malayi Protein kinase domain containing protein 0.0014 0.00000014065 0.00000016498
Loa Loa (eye worm) TAR-binding protein 0.0065 0.8526 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0301 0.0301
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.3466 0.4065
Loa Loa (eye worm) hypothetical protein 0.0035 0.3466 0.4065
Loa Loa (eye worm) hypothetical protein 0.0051 0.6193 0.7264
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0301 0.0301
Schistosoma mansoni ankyrin 23/unc44 0.0014 0.00000014065 0.00000016498
Brugia malayi RNA recognition motif domain containing protein 0.0065 0.8526 1
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0301 0.0353
Echinococcus granulosus tar DNA binding protein 0.0065 0.8526 0.8526
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.6193 0.7264
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0301 0.0353
Brugia malayi Death domain containing protein 0.0014 0.00000014065 0.00000016498
Schistosoma mansoni hypothetical protein 0.0016 0.0301 0.0353
Schistosoma mansoni tar DNA-binding protein 0.0065 0.8526 1
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0074 1 1
Echinococcus multilocularis Ankyrin 0.0014 0.0021 0.0021
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0301 0.0301
Schistosoma mansoni retinoblastoma-binding protein 4 (rbbp4) 0.0014 0.0021 0.0024
Schistosoma mansoni tar DNA-binding protein 0.0065 0.8526 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.0301 0.0353
Loa Loa (eye worm) hypothetical protein 0.0014 0.0021 0.0024
Loa Loa (eye worm) RNA binding protein 0.0065 0.8526 1
Schistosoma mansoni hypothetical protein 0.0016 0.0301 0.0353

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0329 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) 1.2589 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 22.3872 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the Phosphatase Activity of Eya2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488939] ChEMBL. No reference
Potency (functional) 89.1251 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
Plasmodium falciparum ChEMBL23
Homo sapiens 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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