Detailed information for compound 1323758

Basic information

Technical information
  • TDR Targets ID: 1323758
  • Name: 1-morpholin-4-yl-3-naphthalen-1-ylthiourea
  • MW: 287.38 | Formula: C15H17N3OS
  • H donors: 2 H acceptors: 0 LogP: 2.63 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: S=C(Nc1cccc2c1cccc2)NN1CCOCC1
  • InChi: 1S/C15H17N3OS/c20-15(17-18-8-10-19-11-9-18)16-14-7-3-5-12-4-1-2-6-13(12)14/h1-7H,8-11H2,(H2,16,17,20)
  • InChiKey: YUZIPVJBKKBMSY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-morpholino-3-(1-naphthyl)thiourea
  • 1-morpholin-4-yl-3-naphthalen-1-yl-thiourea
  • ZINC00609250
  • MLS000581194
  • N-4-morpholinyl-N'-1-naphthylthiourea
  • SMR000199808
  • IVK/1043705

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Giardia intestinalis Putative fructose-1,6-bisphosphate aldolase Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Giardia lamblia Fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Treponema pallidum fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.8 %
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.5 %
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Mycobacterium ulcerans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 26.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.5088 0.5
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.0068 0.0331 0.5
Giardia lamblia Fructose-bisphosphate aldolase 0.0353 0.5088 0.5
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 0.5088 1
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.0068 0.0331 0.5
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.0369 0.5351 1
Plasmodium falciparum beta-ketoacyl-ACP synthase III 0.0369 0.5351 0.5
Echinococcus granulosus proto oncogene serine:threonine protein kinase 0.0647 1 1
Brugia malayi Serine/threonine-protein kinase Pim-3 0.0647 1 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.5088 0.5
Loa Loa (eye worm) CAMK/PIM protein kinase 0.0647 1 1
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0172 0.2077 0.5
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.5088 0.5
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.0369 0.5351 1
Mycobacterium ulcerans beta-ketoacyl synthase-like protein 0.0369 0.5351 1
Loa Loa (eye worm) prolyl oligopeptidase 0.0201 0.256 0.2512
Mycobacterium tuberculosis 3-oxoacyl-[acyl-carrier-protein] synthase III FabH (beta-ketoacyl-ACP synthase III) (KAS III) 0.0369 0.5351 1
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.0068 0.0331 0.5
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 0.5088 1
Brugia malayi prolyl oligopeptidase family protein 0.0068 0.0331 0.0268
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.0068 0.0331 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0647 1 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.5088 0.5
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.0068 0.0331 0.5
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.0068 0.0331 0.5
Onchocerca volvulus Serine\/threonine protein kinase homolog 0.0647 1 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.5088 0.5
Plasmodium vivax beta-ketoacyl-acyl carrier protein synthase III precursor, putative 0.0369 0.5351 0.5
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.0201 0.256 0.2306
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.5088 0.5
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.5088 0.5
Treponema pallidum fructose-bisphosphate aldolase 0.0353 0.5088 0.5
Chlamydia trachomatis oxoacyl-ACP synthase III 0.0369 0.5351 0.5
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.0201 0.256 0.2306
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.5088 0.5
Brugia malayi prolyl oligopeptidase family protein 0.0201 0.256 0.2512
Wolbachia endosymbiont of Brugia malayi 3-oxoacyl-ACP synthase 0.0369 0.5351 0.5
Loa Loa (eye worm) CAMK/PIM protein kinase 0.0647 1 1
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.0201 0.256 0.2306
Echinococcus multilocularis proto oncogene serine:threonine protein kinase 0.0647 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 10.4179 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) = 11.2202 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 14.0919 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia. (Class of assay: confirmatory) [Related pubchem assays: 2472, 2464 ] ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) 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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