Detailed information for compound 26120

Basic information

Technical information
  • TDR Targets ID: 26120
  • Name: [2,6-di(propan-2-yl)phenyl] N-[di(propan-2-yl )sulfamoyl]carbamate
  • MW: 384.533 | Formula: C19H32N2O4S
  • H donors: 1 H acceptors: 3 LogP: 4.83 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(NS(=O)(=O)N(C(C)C)C(C)C)Oc1c(cccc1C(C)C)C(C)C
  • InChi: 1S/C19H32N2O4S/c1-12(2)16-10-9-11-17(13(3)4)18(16)25-19(22)20-26(23,24)21(14(5)6)15(7)8/h9-15H,1-8H3,(H,20,22)
  • InChiKey: SKIQKIYWFWJXKP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (2,6-diisopropylphenyl) N-(diisopropylsulfamoyl)carbamate
  • N-(diisopropylsulfamoyl)carbamic acid (2,6-diisopropylphenyl) ester

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Acyl coenzyme A:cholesterol acyltransferase 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_133487 All targets in OG5_133487
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_133487 All targets in OG5_133487
Echinococcus granulosus sterol O acyltransferase 1 Get druggable targets OG5_133487 All targets in OG5_133487
Schistosoma mansoni sterol O-acyltransferase 1 Get druggable targets OG5_133487 All targets in OG5_133487
Schistosoma japonicum ko:K00637 sterol O-acyltransferase [EC2.3.1.26], putative Get druggable targets OG5_133487 All targets in OG5_133487
Echinococcus multilocularis sterol O acyltransferase 1 Get druggable targets OG5_133487 All targets in OG5_133487
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Neospora caninum sterol O-acyltransferase, putative Acyl coenzyme A:cholesterol acyltransferase 1   545 aa 510 aa 21.2 %
Dictyostelium discoideum diacylglycerol O-acyltransferase 1 Acyl coenzyme A:cholesterol acyltransferase 1   545 aa 547 aa 22.3 %
Toxoplasma gondii acyl-CoA:cholesterol acyltransferase alpha ACAT1-alpha Acyl coenzyme A:cholesterol acyltransferase 1   545 aa 510 aa 24.1 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, putative 0.006 0 0.5
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.006 0 0.5
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.006 0 0.5
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.006 0 0.5
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.006 0 0.5
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.006 0 0.5
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.3548 0.2698 1
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.006 0 0.5
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.006 0 0.5
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.006 0 0.5
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.006 0 0.5
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.006 0 0.5
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.006 0 0.5
Echinococcus granulosus cAMP and cAMP inhibited cGMP 3'5' cyclic 0.0533 0.0366 0.8559
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.006 0 0.5
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.3548 0.2698 1
Loa Loa (eye worm) hypothetical protein 0.0121 0.0047 0.1335
Loa Loa (eye worm) hypothetical protein 0.0473 0.0319 0.9051
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.006 0 0.5
Echinococcus multilocularis sterol O acyltransferase 1 0.0264 0.0158 0.3689
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.006 0 0.5
Echinococcus granulosus protection of telomeres protein 1 0.0613 0.0427 1
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.006 0 0.5
Brugia malayi hypothetical protein 0.0121 0.0047 0.0065
Echinococcus granulosus sterol O acyltransferase 1 0.0264 0.0158 0.3689
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.006 0 0.5
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.006 0 0.5
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.006 0 0.5
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.006 0 0.5
Schistosoma mansoni sterol O-acyltransferase 1 0.0264 0.0158 1
Brugia malayi hypothetical protein 0.0121 0.0047 0.0065
Trichomonas vaginalis conserved hypothetical protein 0.006 0 0.5
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.006 0 0.5
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.006 0 0.5
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.006 0 0.5
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.006 0 0.5
Echinococcus multilocularis cAMP and cAMP inhibited cGMP 3',5' cyclic 0.0533 0.0366 0.8559
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.006 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0264 0.0158 0.4468
Echinococcus multilocularis protection of telomeres protein 1 0.0613 0.0427 1
Toxoplasma gondii RNA-directed DNA polymerase 0.3548 0.2698 0.5
Plasmodium vivax telomerase reverse transcriptase, putative 0.3548 0.2698 0.5
Leishmania major telomerase reverse transcriptase, putative 0.3548 0.2698 1
Giardia lamblia Telomerase catalytic subunit 0.3548 0.2698 0.5
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.006 0 0.5
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.006 0 0.5
Brugia malayi Telomerase reverse transcriptase 0.9443 0.7256 1
Brugia malayi Probable 3',5'-cyclic phosphodiesterase C32E12.2, putative 0.0533 0.0366 0.0504
Trypanosoma brucei telomerase reverse transcriptase 0.3548 0.2698 1
Loa Loa (eye worm) hypothetical protein 0.0121 0.0047 0.1335
Loa Loa (eye worm) hypothetical protein 0.0238 0.0138 0.3904
Plasmodium falciparum telomerase reverse transcriptase 0.3548 0.2698 0.5
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.006 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0516 0.0353 1
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.006 0 0.5
Schistosoma mansoni hypothetical protein 0.0121 0.0047 0.2988
Trichomonas vaginalis cAMP/cGMP cyclic nucleotide phosphodiesterase, putative 0.006 0 0.5
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.006 0 0.5

Activities

Activity type Activity value Assay description Source Reference
Delta HDL (functional) = 82 % Chronic in vivo activity of the compound was measured by the concentration of high density lipoproteins (HDL) in cholesterol fed rats ChEMBL. 8632431
Delta HDL (functional) = 82 % Chronic in vivo activity of the compound was measured by the concentration of high density lipoproteins (HDL) in cholesterol fed rats ChEMBL. 8632431
Delta TC (functional) = -76 % Acute in vivo activity measured by total plasma cholesterol concentration levels (TC) at 30 mg/kg dose ChEMBL. 8632431
Delta TC (functional) = -65 % 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) = -65 % 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) = -59 % Chronic in vivo activity of the compound was measured by the total cholesterol concentration levels in cholesterol fed rats ChEMBL. 8632431
Delta TC (functional) = -59 % Chronic in vivo activity of the compound was measured by the total cholesterol concentration levels in cholesterol fed rats ChEMBL. 8632431
IC50 (binding) = 15 uM In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase 1 in microsomes of rat liver ChEMBL. 8632431
IC50 (binding) = 15 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.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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