Detailed information for compound 1515780

Basic information

Technical information
  • TDR Targets ID: 1515780
  • Name: 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-pro pylurea
  • MW: 226.299 | Formula: C9H14N4OS
  • H donors: 2 H acceptors: 3 LogP: 1.18 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCNC(=O)Nc1nnc(s1)C1CC1
  • InChi: 1S/C9H14N4OS/c1-2-5-10-8(14)11-9-13-12-7(15-9)6-3-4-6/h6H,2-5H2,1H3,(H2,10,11,13,14)
  • InChiKey: YFOQHUQZHHVXHG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-propyl-urea
  • MLS000696430
  • N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-N'-propylurea
  • SMR000337624
  • ZINC04110340
  • MS-3604

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
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 FTZ F1 alpha 0.0076 0.0382 0.0382
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0076 0.0382 1
Loa Loa (eye worm) hypothetical protein 0.0076 0.0382 0.1294
Trichomonas vaginalis ral, putative 0.0317 0.2951 0.5
Schistosoma mansoni retinoic acid receptor RXR 0.0076 0.0382 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0076 0.0382 0.0382
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0076 0.0382 0.1294
Echinococcus granulosus ras gtpase 0.0317 0.2951 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0076 0.0382 0.1294
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0076 0.0382 1
Trichomonas vaginalis dexras1, putative 0.0317 0.2951 0.5
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0076 0.0382 0.1294
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0076 0.0382 0.0382
Trichomonas vaginalis GTP-binding protein rit, putative 0.0317 0.2951 0.5
Schistosoma mansoni coup transcription factor 0.0076 0.0382 1
Entamoeba histolytica Ras family GTPase 0.0317 0.2951 0.5
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0076 0.0382 0.1294
Schistosoma mansoni thyroid hormone receptor 0.0076 0.0382 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0076 0.0382 0.1294
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0076 0.0382 0.1294
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0076 0.0382 0.1294
Echinococcus multilocularis ecdysone induced protein 78C 0.0076 0.0382 0.0382
Trichomonas vaginalis ras-dva small GTPase, putative 0.0317 0.2951 0.5
Echinococcus granulosus ecdysone induced protein 78C 0.0076 0.0382 0.1294
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0076 0.0382 1
Schistosoma mansoni thyroid hormone receptor 0.0076 0.0382 1
Loa Loa (eye worm) Ras protein let-60 0.0317 0.2951 1
Brugia malayi Ras-related protein R-Ras2 0.0317 0.2951 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0076 0.0382 0.1294
Brugia malayi steroid hormone receptor 0.0076 0.0382 0.1294
Loa Loa (eye worm) hypothetical protein 0.0076 0.0382 0.1294
Trichomonas vaginalis rap1 and, putative 0.0317 0.2951 0.5
Brugia malayi photoreceptor-specific nuclear receptor 0.0076 0.0382 0.1294
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0076 0.0382 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0076 0.0382 0.5
Loa Loa (eye worm) hypothetical protein 0.0076 0.0382 0.1294
Loa Loa (eye worm) hypothetical protein 0.0076 0.0382 0.1294
Loa Loa (eye worm) hypothetical protein 0.0076 0.0382 0.1294
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0076 0.0382 0.1294
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0076 0.0382 0.1294
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0076 0.0382 0.1294
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0076 0.0382 0.1294
Entamoeba histolytica Ras family GTPase 0.0317 0.2951 0.5
Brugia malayi ecdysteroid receptor 0.0076 0.0382 0.1294
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0076 0.0382 0.1294
Schistosoma mansoni steroid hormone receptor ad4bp 0.0076 0.0382 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0076 0.0382 0.1294
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0076 0.0382 0.0382
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0076 0.0382 0.1294
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0076 0.0382 0.1294
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0076 0.0382 0.1294
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0076 0.0382 0.1294
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0076 0.0382 0.1294
Echinococcus granulosus FTZ F1 alpha 0.0076 0.0382 0.1294
Loa Loa (eye worm) hypothetical protein 0.0317 0.2951 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0076 0.0382 0.0382
Brugia malayi nuclear receptor NHR-88 0.0076 0.0382 0.1294
Loa Loa (eye worm) hypothetical protein 0.0076 0.0382 0.1294
Entamoeba histolytica ras-1, putative 0.0317 0.2951 0.5
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0076 0.0382 0.1294
Schistosoma mansoni nuclear hormone receptor 0.0076 0.0382 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0076 0.0382 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0076 0.0382 0.0382
Loa Loa (eye worm) steroid hormone receptor 0.0076 0.0382 0.1294
Brugia malayi Ras protein let-60 0.0317 0.2951 1
Schistosoma mansoni RAR-like nuclear receptor 0.0076 0.0382 1
Loa Loa (eye worm) hypothetical protein 0.0076 0.0382 0.1294
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0076 0.0382 0.1294
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0076 0.0382 0.5
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0076 0.0382 0.0382
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0076 0.0382 0.1294
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0076 0.0382 0.1294
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0076 0.0382 0.1294
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0076 0.0382 0.1294
Echinococcus multilocularis ras gtpase 0.0317 0.2951 0.2951
Loa Loa (eye worm) hypothetical protein 0.0076 0.0382 0.1294
Brugia malayi Nuclear hormone receptor-like 1 0.0076 0.0382 0.1294
Onchocerca volvulus 0.0076 0.0382 0.5
Onchocerca volvulus Bile acid receptor homolog 0.0076 0.0382 0.5
Brugia malayi nuclear hormone receptor 0.0076 0.0382 0.1294
Brugia malayi Steroid receptor seven-up type 2 0.0076 0.0382 0.1294
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0076 0.0382 0.1294
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0076 0.0382 0.1294
Trichomonas vaginalis rheb, putative 0.0317 0.2951 0.5
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0076 0.0382 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0076 0.0382 0.0382

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 18.3489 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 20.5962 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference

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.

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