Detailed information for compound 27004

Basic information

Technical information
  • TDR Targets ID: 27004
  • Name: 1-benzhydryl-3-[[2,6-di(propan-2-yl)phenyl]su lfamoyl]urea
  • MW: 465.608 | Formula: C26H31N3O3S
  • H donors: 3 H acceptors: 3 LogP: 6.22 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(NS(=O)(=O)Nc1c(cccc1C(C)C)C(C)C)NC(c1ccccc1)c1ccccc1
  • InChi: 1S/C26H31N3O3S/c1-18(2)22-16-11-17-23(19(3)4)25(22)28-33(31,32)29-26(30)27-24(20-12-7-5-8-13-20)21-14-9-6-10-15-21/h5-19,24,28H,1-4H3,(H2,27,29,30)
  • InChiKey: WCPOOEPYHBKGHF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-benzhydryl-3-[(2,6-diisopropylphenyl)sulfamoyl]urea
  • 3-[di(phenyl)methyl]-1-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]urea
  • 1-[(2,6-diisopropylphenyl)sulfamoyl]-3-[di(phenyl)methyl]urea

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
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1013 0.9439 0.9429
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.1013 0.9439 0.9429
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0466 0.2045 0.1908
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, putative 0.1013 0.9439 0.9429
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.1013 0.9439 1
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.1013 0.9439 1
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1013 0.9439 0.9429
Trypanosoma brucei cAMP-specific phosphodiesterase 0.1013 0.9439 0.5
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.0589 0.3701 1
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1054 1 1
Loa Loa (eye worm) hypothetical protein 0.0589 0.3701 1
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.1054 1 1
Toxoplasma gondii hypothetical protein 0.0328 0.0169 0.0223
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.1013 0.9439 0.9429
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.1013 0.9439 0.9429
Plasmodium falciparum GAF domain-related protein, putative 0.0328 0.0169 0.5
Loa Loa (eye worm) hypothetical protein 0.045 0.1825 0.4932
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.1013 0.9439 0.9429
Trichomonas vaginalis cAMP/cGMP cyclic nucleotide phosphodiesterase, putative 0.1013 0.9439 0.9429
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1013 0.9439 0.9429
Trichomonas vaginalis conserved hypothetical protein 0.0874 0.7563 0.7521
Giardia lamblia CAMP-specific 3,5-cyclic phosphodiesterase 4B 0.0315 0 0.5
Echinococcus granulosus dual 3'5' cyclic AMP and GMP phosphodiesterase 0.1013 0.9439 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.1013 0.9439 0.9429
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0685 0.5007 0.4921
Echinococcus multilocularis cAMP and cAMP inhibited cGMP 3',5' cyclic 0.0466 0.2045 0.2166
Mycobacterium leprae conserved hypothetical protein 0.0328 0.0169 0.5
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1013 0.9439 0.9429
Plasmodium vivax hypothetical protein, conserved 0.0328 0.0169 0.5
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1013 0.9439 0.9429
Trichomonas vaginalis conserved hypothetical protein 0.0874 0.7563 0.7521
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0466 0.2045 0.1908
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1013 0.9439 0.9429
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.1013 0.9439 1
Echinococcus granulosus cAMP and cAMP inhibited cGMP 3'5' cyclic 0.0466 0.2045 0.2166
Trypanosoma brucei cAMP-specific phosphodiesterase 0.1013 0.9439 0.5
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.1013 0.9439 0.9429
Loa Loa (eye worm) hypothetical protein 0.0328 0.0169 0.0456
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1013 0.9439 0.9429
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.1013 0.9439 0.9429
Mycobacterium tuberculosis Two component sensor histidine kinase DevS 0.0369 0.073 1
Toxoplasma gondii GAF domain-containing protein 0.0328 0.0169 0.0223
Toxoplasma gondii hypothetical protein 0.0328 0.0169 0.0223
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.1013 0.9439 0.9429
Schistosoma mansoni camp/cgmp cyclic nucleotide phosphodiesterase 0.1013 0.9439 1
Trichomonas vaginalis cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative 0.0685 0.5007 0.4921
Echinococcus multilocularis dual 3',5' cyclic AMP and GMP phosphodiesterase 0.1013 0.9439 1
Schistosoma mansoni cgmp-dependent 35-cyclic phosphodiesterase 0.056 0.3313 0.351
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.1013 0.9439 0.9429
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.056 0.3313 0.7659
Trichomonas vaginalis conserved hypothetical protein 0.0874 0.7563 0.7521
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1013 0.9439 0.9429
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.1013 0.9439 0.9429
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0466 0.2045 0.1908
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1013 0.9439 0.9429
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.1013 0.9439 0.9429
Trichomonas vaginalis conserved hypothetical protein 0.1054 1 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1013 0.9439 0.9429
Toxoplasma gondii hypothetical protein 0.0874 0.7563 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.1013 0.9439 0.9429
Mycobacterium ulcerans two component sensor histidine kinase DevS 0.0369 0.073 1
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1013 0.9439 0.9429
Loa Loa (eye worm) hypothetical protein 0.056 0.3313 0.8952

Activities

Activity type Activity value Assay description Source Reference
Delta TC (functional) = -5 % Acute in vivo activity of the compound was measured by the total plasma cholesterol concentration levels(TC) at dose 3 mg/kg ChEMBL. 8632431
Delta TC (functional) = -5 % Acute in vivo activity of the compound was measured by the total plasma cholesterol concentration levels(TC) at dose 3 mg/kg ChEMBL. 8632431
IC50 (binding) = 30 uM In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase 1 in microsomes of rat liver ChEMBL. 8632431
IC50 (binding) = 30 uM In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase 1 in microsomes of rat liver ChEMBL. 8632431

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.

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