Detailed information for compound 175746

Basic information

Technical information
  • TDR Targets ID: 175746
  • Name: 9-[4-(hexylsulfonylamino)-2-methoxyanilino]ac ridine-4-carboxamide
  • MW: 506.617 | Formula: C27H30N4O4S
  • H donors: 3 H acceptors: 4 LogP: 5.22 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCCCCCS(=O)(=O)Nc1ccc(c(c1)OC)Nc1c2ccccc2nc2c1cccc2C(=O)N
  • InChi: 1S/C27H30N4O4S/c1-3-4-5-8-16-36(33,34)31-18-14-15-23(24(17-18)35-2)30-25-19-10-6-7-13-22(19)29-26-20(25)11-9-12-21(26)27(28)32/h6-7,9-15,17,31H,3-5,8,16H2,1-2H3,(H2,28,32)(H,29,30)
  • InChiKey: BKVUSYZWVKQBJR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 9-[4-(hexylsulfonylamino)-2-methoxy-anilino]acridine-4-carboxamide
  • 9-[4-(hexylsulfonylamino)-2-methoxyanilino]-4-acridinecarboxamide
  • 9-[[4-(hexylsulfonylamino)-2-methoxy-phenyl]amino]acridine-4-carboxamide
  • 9-[[4-(hexylsulfonylamino)-2-methoxyphenyl]amino]acridine-4-carboxamide
  • 9-[[4-(hexylsulfonylamino)-2-methoxyphenyl]amino]-4-acridinecarboxamide

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 high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0665 0.0612 0.1285
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, putative 0.0665 0.0612 0.1285
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1442 0.3178 0.667
Echinococcus multilocularis cAMP and cAMP inhibited cGMP 3',5' cyclic 0.0665 0.0612 0.5
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0665 0.0612 0.1285
Mycobacterium leprae conserved hypothetical protein 0.048 0 0.5
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0665 0.0612 0.1285
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0665 0.0612 0.1285
Echinococcus granulosus cAMP and cAMP inhibited cGMP 3'5' cyclic 0.0665 0.0612 0.5
Toxoplasma gondii hypothetical protein 0.048 0 0.5
Plasmodium falciparum GAF domain-related protein, putative 0.048 0 0.5
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0665 0.0612 0.1285
Trypanosoma cruzi GAF domain/TIP41-like family, putative 0.1256 0.2566 1
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0665 0.0612 0.1285
Mycobacterium tuberculosis Conserved hypothetical protein 0.1256 0.2566 0.6179
Plasmodium vivax hypothetical protein, conserved 0.048 0 0.5
Toxoplasma gondii hypothetical protein 0.048 0 0.5
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0665 0.0612 0.1285
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0665 0.0612 0.1285
Mycobacterium ulcerans two component sensor histidine kinase DevS 0.1736 0.4152 1
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0665 0.0612 0.1285
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0665 0.0612 0.1285
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0665 0.0612 0.1285
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0665 0.0612 0.1285
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1442 0.3178 0.667
Leishmania major hypothetical protein, conserved 0.1256 0.2566 1
Trypanosoma brucei GAF domain/TIP41-like family, putative 0.1256 0.2566 1
Toxoplasma gondii GAF domain-containing protein 0.048 0 0.5
Loa Loa (eye worm) hypothetical protein 0.3506 1 1
Mycobacterium tuberculosis Two component sensor histidine kinase DevS 0.1736 0.4152 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.1922 0.4765 1
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1922 0.4765 1
Toxoplasma gondii hypothetical protein 0.048 0 0.5
Echinococcus granulosus dual 3'5' cyclic AMP and GMP phosphodiesterase 0.0665 0.0612 0.5
Echinococcus multilocularis dual 3',5' cyclic AMP and GMP phosphodiesterase 0.0665 0.0612 0.5
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0665 0.0612 0.1285
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.1922 0.4765 1
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0665 0.0612 0.1285
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0665 0.0612 0.1285
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0665 0.0612 0.1285
Trichomonas vaginalis cAMP/cGMP cyclic nucleotide phosphodiesterase, putative 0.0665 0.0612 0.1285
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0665 0.0612 0.1285
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0665 0.0612 0.1285
Schistosoma mansoni cgmp-dependent 35-cyclic phosphodiesterase 0.3506 1 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0665 0.0612 0.1285
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0665 0.0612 0.1285
Trypanosoma cruzi GAF domain/TIP41-like family, putative 0.1256 0.2566 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0665 0.0612 0.1285
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0665 0.0612 0.1285
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0665 0.0612 0.1285
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0665 0.0612 0.1285
Trichomonas vaginalis conserved hypothetical protein 0.1922 0.4765 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0665 0.0612 0.1285
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0665 0.0612 0.1285

Activities

Activity type Activity value Assay description Source Reference
ILSmax (functional) = 87 % Tumor cell selectivity determined as maximal percent increase in life span (ILSmax) at LD10 dosage level in L1210 cells ChEMBL. 7120279
ILSmax (functional) = 87 % Tumor cell selectivity determined as maximal percent increase in life span (ILSmax) at LD10 dosage level in L1210 cells ChEMBL. 7120279
Log 1/D50 (functional) = 3.92 Drug concentration in mole/kg/day providing 50% extension of life in intraperitoneally implanted leukemia L1210 mice. ChEMBL. 7069706
Log 1/LD10 (ADMET) = 3.5 Compound concentration in mole/kg/day lethal to 10% of mice ChEMBL. 7069706

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

2 literature references were collected for this gene.

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