Detailed information for compound 1324331

Basic information

Technical information
  • TDR Targets ID: 1324331
  • Name: 1-propyl-3-(1,3-thiazol-2-yl)urea
  • MW: 185.247 | Formula: C7H11N3OS
  • H donors: 2 H acceptors: 2 LogP: 1.19 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCNC(=O)Nc1nccs1
  • InChi: 1S/C7H11N3OS/c1-2-3-8-6(11)10-7-9-4-5-12-7/h4-5H,2-3H2,1H3,(H2,8,9,10,11)
  • InChiKey: AYBSLNUHBOEHRE-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 1-propyl-3-thiazol-2-yl-urea
  • 1-propyl-3-(2-thiazolyl)urea
  • MLS000564155
  • SMR000151750
  • T0514-6838

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873

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 retinoic acid receptor RXR 0.0131 0.3208 1
Plasmodium falciparum cysteine proteinase falcipain 3 0.0063 0.0195 0.5
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0131 0.3208 1
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0062 0.016 0.0497
Schistosoma mansoni nuclear receptor 0.0062 0.016 0.0497
Brugia malayi Cathepsin L-like precursor 0.0063 0.0195 0.0195
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0063 0.0195 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0063 0.0195 0.5
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0131 0.3208 0.3208
Trypanosoma cruzi cruzipain precursor, putative 0.0063 0.0195 0.5
Echinococcus granulosus cathepsin l1 0.0063 0.0195 0.0036
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0131 0.3208 0.3098
Brugia malayi hypothetical protein 0.0062 0.016 0.016
Onchocerca volvulus 0.0063 0.0195 0.0607
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0069 0.0486 0.1515
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0131 0.3208 0.3098
Loa Loa (eye worm) hypothetical protein 0.0131 0.3208 0.3098
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0131 0.3208 0.3098
Echinococcus multilocularis survival motor neuron protein 1 0.0286 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0131 0.3208 0.3098
Schistosoma mansoni nuclear hormone receptor 0.0062 0.016 0.0497
Loa Loa (eye worm) hypothetical protein 0.0131 0.3208 0.3098
Schistosoma mansoni nuclear receptor nhr-48 0.0062 0.016 0.0497
Onchocerca volvulus Cathepsin F homolog 0.0063 0.0195 0.0607
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.0195 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0063 0.0195 0.5
Brugia malayi Nuclear hormone receptor-like 1 0.0131 0.3208 0.3208
Loa Loa (eye worm) hypothetical protein 0.0069 0.0486 0.0332
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0063 0.0195 0.5
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0063 0.0195 0.5
Brugia malayi Steroid receptor seven-up type 2 0.0131 0.3208 0.3208
Brugia malayi nuclear receptor NHR-67 0.0062 0.016 0.016
Trypanosoma cruzi cysteine peptidase, putative 0.0063 0.0195 0.5
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.0195 0.5
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0131 0.3208 0.3098
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0131 0.3208 0.3098
Onchocerca volvulus 0.0131 0.3208 1
Brugia malayi tailless protein 0.0062 0.016 0.016
Echinococcus multilocularis FTZ F1 alpha 0.0131 0.3208 0.3098
Loa Loa (eye worm) steroid hormone receptor 0.0131 0.3208 0.3098
Plasmodium vivax vivapain-2 0.0063 0.0195 0.5
Loa Loa (eye worm) hypothetical protein 0.0131 0.3208 0.3098
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0131 0.3208 0.3098
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.0195 0.5
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0131 0.3208 0.3208
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0131 0.3208 1
Echinococcus multilocularis cysteine protease 0.0063 0.0195 0.0036
Brugia malayi Nuclear hormone receptor E75 0.0062 0.016 0.016
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0063 0.0195 0.5
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0131 0.3208 0.3098
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.0195 0.5
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.0195 0.5
Onchocerca volvulus 0.0063 0.0195 0.0607
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0131 0.3208 0.3098
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0062 0.016 0.0497
Brugia malayi nuclear receptor NHR-88 0.0131 0.3208 0.3208
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0063 0.0195 0.5
Leishmania major cysteine peptidase A (CPA) 0.0063 0.0195 0.5
Schistosoma mansoni zinc finger protein 0.0062 0.016 0.0497
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0063 0.0195 0.5
Brugia malayi Nuclear hormone receptor-like 1 0.0069 0.0486 0.0486
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0069 0.0486 0.0332
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0131 0.3208 0.3098
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0131 0.3208 0.3208
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0063 0.0195 0.5
Loa Loa (eye worm) hypothetical protein 0.0131 0.3208 0.3098
Onchocerca volvulus Protein ultraspiracle homolog 0.0131 0.3208 1
Schistosoma mansoni nuclear hormone receptor 0.0131 0.3208 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0131 0.3208 0.3208
Loa Loa (eye worm) hypothetical protein 0.0131 0.3208 0.3098
Brugia malayi Nuclear hormone receptor-like 1 0.0069 0.0486 0.0486
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.0195 0.5
Onchocerca volvulus 0.0063 0.0195 0.0607
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0131 0.3208 1
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0069 0.0486 0.0332
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0063 0.0195 0.5
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0131 0.3208 0.3098
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.0195 0.5
Loa Loa (eye worm) hypothetical protein 0.0069 0.0486 0.0332
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0063 0.0195 0.5
Brugia malayi orphan nuclear receptor NR2E1 0.0062 0.016 0.016
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0131 0.3208 0.3208
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0131 0.3208 0.3098
Entamoeba histolytica cysteine proteinase, putative 0.0063 0.0195 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0063 0.0195 0.5
Onchocerca volvulus 0.0063 0.0195 0.0607
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0063 0.0195 0.5
Leishmania major cathepsin L-like protease 0.0063 0.0195 0.5
Brugia malayi Cathepsin L-like precursor 0.0063 0.0195 0.0195
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0069 0.0486 0.1515
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0063 0.0195 0.5
Loa Loa (eye worm) ctsf protein 0.0063 0.0195 0.0036
Toxoplasma gondii cathepsin CPL 0.0063 0.0195 0.5
Brugia malayi photoreceptor-specific nuclear receptor 0.0131 0.3208 0.3208
Loa Loa (eye worm) hypothetical protein 0.0069 0.0486 0.0332
Schistosoma mansoni cathepsin F (C01 family) 0.0063 0.0195 0.0607
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0063 0.0195 0.5
Onchocerca volvulus 0.0063 0.0195 0.0607
Onchocerca volvulus Cathepsin L homolog 0.0063 0.0195 0.0607
Entamoeba histolytica cysteine protease, putative 0.0063 0.0195 0.5
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.0195 0.5
Schistosoma mansoni cathepsin F (C01 family) 0.0063 0.0195 0.0607
Brugia malayi ecdysone receptor 0.0062 0.016 0.016
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0062 0.016 0.0497
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0131 0.3208 0.3098
Leishmania major cathepsin L-like protease 0.0063 0.0195 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0131 0.3208 0.3208
Brugia malayi Nuclear hormone receptor E75 0.0062 0.016 0.016
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0131 0.3208 1
Brugia malayi Papain family cysteine protease containing protein 0.0063 0.0195 0.0195
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0063 0.0195 0.5
Brugia malayi nuclear hormone receptor 0.0062 0.016 0.016
Loa Loa (eye worm) hypothetical protein 0.0069 0.0486 0.0332
Schistosoma mansoni coup transcription factor 0.0131 0.3208 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0131 0.3208 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0131 0.3208 0.3208
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.0195 0.5
Onchocerca volvulus 0.0062 0.016 0.0497
Brugia malayi nuclear hormone receptor 0.0131 0.3208 0.3208
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0069 0.0486 0.0332
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0131 0.3208 0.3098
Brugia malayi conserved hypotetical protein 0.0062 0.016 0.016
Brugia malayi Cathepsin L-like precursor 0.0063 0.0195 0.0195
Echinococcus multilocularis thyroid hormone receptor alpha 0.0131 0.3208 0.3098
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0131 0.3208 0.3208
Brugia malayi nuclear receptor NHR-88 0.0062 0.016 0.016
Onchocerca volvulus 0.0062 0.016 0.0497
Schistosoma mansoni thyroid hormone receptor 0.0131 0.3208 1
Plasmodium vivax vivapain-2 0.0063 0.0195 0.5
Brugia malayi Cathepsin L-like precursor 0.0063 0.0195 0.0195
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0131 0.3208 0.3208
Entamoeba histolytica cysteine proteinase, putative 0.0063 0.0195 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0063 0.0195 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0063 0.0195 0.5
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0063 0.0195 0.5
Loa Loa (eye worm) hypothetical protein 0.0131 0.3208 0.3098
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.0195 0.5
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0131 0.3208 0.3208
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0063 0.0195 0.5
Echinococcus granulosus cathepsin L cysteine proteinase 0.0063 0.0195 0.0036
Brugia malayi ecdysteroid receptor 0.0131 0.3208 0.3208
Leishmania major cathepsin L-like protease 0.0063 0.0195 0.5
Trypanosoma cruzi cysteine peptidase, putative 0.0063 0.0195 0.5
Loa Loa (eye worm) hypothetical protein 0.0286 1 1
Schistosoma mansoni thyroid hormone receptor 0.0131 0.3208 1
Loa Loa (eye worm) hypothetical protein 0.0131 0.3208 0.3098
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0131 0.3208 0.3098
Loa Loa (eye worm) hypothetical protein 0.0131 0.3208 0.3098
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0131 0.3208 1
Echinococcus granulosus ecdysone induced protein 78C 0.0131 0.3208 0.3098
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0062 0.016 0.016
Brugia malayi Cathepsin L-like precursor 0.0063 0.0195 0.0195
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0063 0.0195 0.5
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0063 0.0195 0.0036
Schistosoma mansoni nuclear receptor 0.0062 0.016 0.0497
Brugia malayi hypothetical protein 0.0069 0.0486 0.0486
Echinococcus multilocularis cathepsin L cysteine protease 0.0063 0.0195 0.0036
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0131 0.3208 0.3208
Loa Loa (eye worm) hypothetical protein 0.0069 0.0486 0.0332
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0131 0.3208 0.3098
Brugia malayi hypothetical protein 0.0069 0.0486 0.0486
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0131 0.3208 0.3098
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0063 0.0195 0.5
Onchocerca volvulus 0.0063 0.0195 0.0607
Loa Loa (eye worm) fibroinase 0.0063 0.0195 0.0036
Leishmania major cathepsin L-like protease 0.0063 0.0195 0.5
Echinococcus multilocularis cathepsin L cysteine protease 0.0063 0.0195 0.0036
Brugia malayi hypothetical protein 0.0062 0.016 0.016
Echinococcus granulosus cathepsin l cysteine peptidase 0.0063 0.0195 0.0036
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0063 0.0195 0.0036
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0063 0.0195 0.5
Trypanosoma cruzi cysteine peptidase, putative 0.0063 0.0195 0.5
Leishmania major cathepsin L-like protease 0.0063 0.0195 0.5
Leishmania major cathepsin L-like protease 0.0063 0.0195 0.5
Brugia malayi nuclear hormone receptor family member odr-7 0.0062 0.016 0.016
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0131 0.3208 0.3208
Echinococcus multilocularis ecdysone induced protein 78C 0.0131 0.3208 0.3098
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0131 0.3208 0.3098
Onchocerca volvulus Bile acid receptor homolog 0.0131 0.3208 1
Brugia malayi nuclear receptor RXR 0.0069 0.0486 0.0486
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0063 0.0195 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0063 0.0195 0.5
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0131 0.3208 1
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0062 0.016 0.0497
Loa Loa (eye worm) cysteine protease 0.0063 0.0195 0.0036
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0131 0.3208 0.3098
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0063 0.0195 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0131 0.3208 0.3098
Onchocerca volvulus 0.0063 0.0195 0.0607
Brugia malayi nuclear receptor RXR 0.0062 0.016 0.016
Leishmania major cathepsin L-like protease 0.0063 0.0195 0.5
Echinococcus multilocularis cysteine protease 0.0063 0.0195 0.0036
Brugia malayi Cathepsin L-like precursor 0.0063 0.0195 0.0195
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0063 0.0195 0.0036
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0063 0.0195 0.5
Echinococcus granulosus survival motor neuron protein 1 0.0286 1 1
Loa Loa (eye worm) hypothetical protein 0.0063 0.0195 0.0036
Schistosoma mansoni nuclear hormone receptor 0.0062 0.016 0.0497
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0131 0.3208 0.3208
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0131 0.3208 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0063 0.0195 0.0036
Onchocerca volvulus Cathepsin L homolog 0.0063 0.0195 0.0607
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.0195 0.5
Leishmania major cathepsin L-like protease 0.0063 0.0195 0.5
Echinococcus granulosus FTZ F1 alpha 0.0131 0.3208 0.3098
Trypanosoma cruzi cysteine peptidase, putative 0.0063 0.0195 0.5
Schistosoma mansoni RAR-like nuclear receptor 0.0131 0.3208 1
Brugia malayi nuclear hormone receptor family member nhr-6 0.0062 0.016 0.016
Brugia malayi steroid hormone receptor 0.0131 0.3208 0.3208

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.4147 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 1.5849 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) 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

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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