Detailed information for compound 901799

Basic information

Technical information
  • TDR Targets ID: 901799
  • Name: N-[4-[(4-ethylamino-6-methylpyrimidin-2-yl)am ino]phenyl]-2-methyl-5-propan-2-ylbenzenesulf onamide
  • MW: 439.574 | Formula: C23H29N5O2S
  • H donors: 3 H acceptors: 4 LogP: 5.18 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCNc1cc(C)nc(n1)Nc1ccc(cc1)NS(=O)(=O)c1cc(ccc1C)C(C)C
  • InChi: 1S/C23H29N5O2S/c1-6-24-22-13-17(5)25-23(27-22)26-19-9-11-20(12-10-19)28-31(29,30)21-14-18(15(2)3)8-7-16(21)4/h7-15,28H,6H2,1-5H3,(H2,24,25,26,27)
  • InChiKey: CDGCSDJTPJXOGQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[4-[(4-ethylamino-6-methyl-pyrimidin-2-yl)amino]phenyl]-5-isopropyl-2-methyl-benzenesulfonamide
  • N-[4-[(4-ethylamino-6-methyl-2-pyrimidinyl)amino]phenyl]-5-isopropyl-2-methylbenzenesulfonamide
  • N-[4-[(4-ethylamino-6-methyl-pyrimidin-2-yl)amino]phenyl]-2-methyl-5-propan-2-yl-benzenesulfonamide

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
Giardia lamblia Kinase, CMGC GSK 0.0583 1 0.5
Echinococcus multilocularis glycogen synthase kinase 3 beta 0.0583 1 1
Loa Loa (eye worm) hypothetical protein 0.0409 0.6611 0.6611
Brugia malayi Carboxylesterase family protein 0.0409 0.6611 0.6611
Schistosoma mansoni protein kinase 0.0128 0.1145 0.1145
Leishmania major glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270 0.0583 1 0.5
Echinococcus granulosus glycogen synthase kinase 3 beta 0.0583 1 1
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0583 1 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0409 0.6611 0.6611
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0069 0 0.5
Brugia malayi Carboxylesterase family protein 0.0409 0.6611 0.6611
Echinococcus multilocularis protein kinase shaggy 0.0583 1 1
Giardia lamblia Kinase, CMGC GSK 0.0583 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0409 0.6611 0.6611
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0069 0 0.5
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0128 0.1145 0.1145
Echinococcus granulosus carboxylesterase 5A 0.0409 0.6611 0.6611
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0583 1 1
Trypanosoma brucei protein kinase, putative 0.0583 1 0.5
Onchocerca volvulus 0.0583 1 1
Echinococcus granulosus protein kinase shaggy 0.0583 1 1
Entamoeba histolytica protein kinase domain containing protein 0.0583 1 0.5
Echinococcus multilocularis acetylcholinesterase 0.0409 0.6611 0.6611
Echinococcus multilocularis carboxylesterase 5A 0.0409 0.6611 0.6611
Echinococcus multilocularis acetylcholinesterase 0.0409 0.6611 0.6611
Echinococcus granulosus acetylcholinesterase 0.0409 0.6611 0.6611
Entamoeba histolytica protein kinase, putative 0.0583 1 0.5
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0128 0.1145 0.1145
Brugia malayi Calcium/calmodulin-dependent protein kinase type II alpha chain 0.0107 0.0746 0.0746
Trichomonas vaginalis CMGC family protein kinase 0.0583 1 1
Toxoplasma gondii cell-cycle-associated protein kinase GSK, putative 0.0583 1 0.5
Schistosoma mansoni protein kinase 0.0128 0.1145 0.1145
Mycobacterium ulcerans carboxylesterase, LipT 0.0069 0 0.5
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) 0.0583 1 1
Loa Loa (eye worm) acetylcholinesterase 1 0.0409 0.6611 0.6611
Plasmodium vivax glycogen synthase kinase 3, putative 0.0583 1 0.5
Mycobacterium tuberculosis Carboxylesterase LipT 0.0069 0 0.5
Echinococcus granulosus acetylcholinesterase 0.0409 0.6611 0.6611
Plasmodium falciparum glycogen synthase kinase 3 0.0583 1 0.5
Trichomonas vaginalis CMGC family protein kinase 0.0583 1 1
Loa Loa (eye worm) calcium/calmodulin-dependent protein kinase subunit type II alpha 0.0107 0.0746 0.0746
Loa Loa (eye worm) carboxylesterase 0.0409 0.6611 0.6611
Entamoeba histolytica protein kinase domain containing protein 0.0583 1 0.5
Schistosoma mansoni protein kinase 0.0128 0.1145 0.1145
Trypanosoma cruzi glycogen synthase kinase 3, putative 0.0583 1 0.5

Activities

No activities found for this compound.

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

No literature references available for this target.

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