Detailed information for compound 331671

Basic information

Technical information
  • TDR Targets ID: 331671
  • Name: 5,5-diphenyl-3-propan-2-yl-2-sulfanylideneimi dazolidin-4-one
  • MW: 310.413 | Formula: C18H18N2OS
  • H donors: 1 H acceptors: 1 LogP: 3.72 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(N1C(=S)NC(C1=O)(c1ccccc1)c1ccccc1)C
  • InChi: 1S/C18H18N2OS/c1-13(2)20-16(21)18(19-17(20)22,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13H,1-2H3,(H,19,22)
  • InChiKey: WAIRTCARYFZMLE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-isopropyl-5,5-diphenyl-2-thioxo-imidazolidin-4-one
  • 3-isopropyl-5,5-diphenyl-2-thioxo-4-imidazolidinone
  • 5,5-diphenyl-3-propan-2-yl-2-sulfanylidene-imidazolidin-4-one
  • 5,5-di(phenyl)-3-propan-2-yl-2-sulfanylideneimidazolidin-4-one
  • 3-isopropyl-5,5-di(phenyl)-2-thioxo-imidazolidin-4-one
  • 3-isopropyl-5,5-di(phenyl)-2-thioxo-4-imidazolidinone
  • 5,5-di(phenyl)-3-propan-2-yl-2-sulfanylidene-imidazolidin-4-one

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
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0393 0.8053 1
Echinococcus granulosus glutamate receptor 1 0.0179 0.3185 0.5248
Schistosoma mansoni ATP-binding cassette transporter 0.0106 0.1527 0.55
Echinococcus multilocularis glutamate receptor 2 0.0266 0.5172 0.8522
Echinococcus multilocularis serotonin transporter 0.0161 0.2776 0.4574
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0152 0.2573 1
Schistosoma mansoni sodium/chloride dependent transporter 0.0161 0.2776 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0312 0.6207 1
Loa Loa (eye worm) hypothetical protein 0.0161 0.2776 0.2716
Echinococcus granulosus glutamate receptor 4 0.0179 0.3185 0.5248
Plasmodium vivax hypothetical protein, conserved 0.0075 0.0809 0.5
Brugia malayi ERG2 and Sigma1 receptor like protein 0.0393 0.8053 1
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0127 0.1987 0.3274
Loa Loa (eye worm) hypothetical protein 0.0179 0.3185 0.3281
Brugia malayi Pre-SET motif family protein 0.0211 0.3914 0.4286
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0095 0.127 0.4575
Onchocerca volvulus 0.024 0.4578 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0312 0.6207 0.5
Trypanosoma brucei C-8 sterol isomerase, putative 0.0393 0.8053 1
Schistosoma mansoni glutamate receptor AMPA 0.0106 0.1527 0.55
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.0106 0.1527 0.2516
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0312 0.6207 1
Echinococcus granulosus glutamate receptor 2 0.0266 0.5172 0.8522
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0095 0.127 0.0637
Loa Loa (eye worm) norepinephrine transporter 0.0161 0.2776 0.2716
Schistosoma mansoni glutamate receptor NMDA 0.0127 0.1987 0.7157
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0075 0.0809 0.2913
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0127 0.1987 0.3274
Echinococcus multilocularis glutamate receptor subunit protein glur 0.0219 0.4082 0.6726
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0312 0.6207 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0095 0.127 0.0637
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0306 0.6069 1
Echinococcus granulosus glutamate receptor subunit protein glur 0.0219 0.4082 0.6726
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0095 0.127 0.4575
Treponema pallidum fructose-bisphosphate aldolase 0.0312 0.6207 1
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0127 0.1987 0.3274
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0312 0.6207 1
Echinococcus multilocularis glutamate receptor 4 0.0179 0.3185 0.5248
Echinococcus granulosus glutamate NMDA receptor subunit 0.0106 0.1527 0.2516
Schistosoma mansoni glutamate receptor kainate 0.0106 0.1527 0.55
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0095 0.127 0.2093
Echinococcus multilocularis glutamate receptor 2 0.0306 0.6069 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0211 0.3914 0.4286
Toxoplasma gondii ABC1 family protein 0.0075 0.0809 0.5
Brugia malayi Glutamate receptor 2 precursor 0.0286 0.5609 0.6627
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0127 0.1987 0.3274
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0306 0.6069 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0075 0.0809 0.2913
Loa Loa (eye worm) hypothetical protein 0.0161 0.2776 0.2716
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0095 0.127 0.2093
Loa Loa (eye worm) serotonin transporter b 0.0161 0.2776 0.2716
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0312 0.6207 1
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0161 0.2776 0.2716
Onchocerca volvulus 0.0161 0.2776 0.5219
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0312 0.6207 1
Loa Loa (eye worm) solute carrier family 6 member 4 0.0161 0.2776 0.2716
Loa Loa (eye worm) glutamate receptor 2 0.0106 0.1527 0.0992
Brugia malayi Glutamate receptor 1 precursor 0.0286 0.5609 0.6627
Leishmania major C-8 sterol isomerase-like protein 0.0393 0.8053 1
Echinococcus multilocularis glutamate receptor 2 0.0286 0.5609 0.9242
Echinococcus granulosus glutamate receptor 2 0.0306 0.6069 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0312 0.6207 1
Loa Loa (eye worm) hypothetical protein 0.0201 0.3677 0.396
Loa Loa (eye worm) hypothetical protein 0.0179 0.3185 0.3281
Schistosoma mansoni glutamate receptor NMDA 0.0106 0.1527 0.55
Echinococcus granulosus serotonin transporter 0.0161 0.2776 0.4574
Schistosoma mansoni glutamate receptor kainate 0.0106 0.1527 0.55
Loa Loa (eye worm) hypothetical protein 0.0161 0.2776 0.2716
Trichomonas vaginalis set domain proteins, putative 0.024 0.4578 0.6983
Giardia lamblia Fructose-bisphosphate aldolase 0.0312 0.6207 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0095 0.127 0.4575
Schistosoma mansoni glutamate receptor AMPA 0.0106 0.1527 0.55
Echinococcus granulosus beta LACTamase domain containing family member 0.0075 0.0809 0.1332
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0127 0.1987 0.3274
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0095 0.127 0.2093
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0161 0.2776 1
Schistosoma mansoni glutamate receptor kainate 0.0106 0.1527 0.55
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0312 0.6207 0.5
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0152 0.2573 0.192
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0095 0.127 0.2093
Loa Loa (eye worm) hypothetical protein 0.0179 0.3185 0.3281
Echinococcus multilocularis beta LACTamase domain containing family member 0.0075 0.0809 0.1332
Loa Loa (eye worm) glutamate receptor 1 0.0286 0.5609 0.6627
Loa Loa (eye worm) hypothetical protein 0.0393 0.8053 1
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0127 0.1987 0.3274
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0312 0.6207 1
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0152 0.2573 1

Activities

Activity type Activity value Assay description Source Reference
Displacement (binding) < 10 % Displacement of [3H]CP-55,940 from human CB2 receptor expressed in CHO cells at 10 uM ChEMBL. 15801840
Displacement (binding) < 10 % Displacement of [3H]CP-55,940 from human CB2 receptor expressed in CHO cells at 10 uM ChEMBL. 15801840
Displacement (binding) = 42.8 % Displacement of [3H]-SR-141,716A from human Cannabinoid receptor 1 (CB1 receptor) expressed in CHO cells at 10 uM ChEMBL. 15801840
Displacement (binding) = 42.8 % Displacement of [3H]-SR-141,716A from human Cannabinoid receptor 1 (CB1 receptor) expressed in CHO cells at 10 uM ChEMBL. 15801840

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

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.