Detailed information for compound 1266571

Basic information

Technical information
  • TDR Targets ID: 1266571
  • Name: 2-(2,3-dimethylphenoxy)-N-[4-[(2,6-dimethylpy rimidin-4-yl)sulfamoyl]phenyl]propanamide
  • MW: 454.542 | Formula: C23H26N4O4S
  • H donors: 2 H acceptors: 5 LogP: 3.86 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1nc(C)nc(c1)NS(=O)(=O)c1ccc(cc1)NC(=O)C(Oc1cccc(c1C)C)C
  • InChi: 1S/C23H26N4O4S/c1-14-7-6-8-21(16(14)3)31-17(4)23(28)26-19-9-11-20(12-10-19)32(29,30)27-22-13-15(2)24-18(5)25-22/h6-13,17H,1-5H3,(H,26,28)(H,24,25,27)
  • InChiKey: ZRXDAIGLNKNDIN-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-(2,3-dimethylphenoxy)-N-[4-[(2,6-dimethyl-4-pyrimidinyl)sulfamoyl]phenyl]propanamide
  • 2-(2,3-dimethylphenoxy)-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]propionamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens solute carrier family 5 (sodium/choline cotransporter), member 7 Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni high-affinity choline transporter Get druggable targets OG5_131601 All targets in OG5_131601
Brugia malayi GH02984p Get druggable targets OG5_131601 All targets in OG5_131601
Echinococcus multilocularis high affinity choline transporter 1 Get druggable targets OG5_131601 All targets in OG5_131601
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131601 All targets in OG5_131601
Schistosoma japonicum IPR001734,Na+/solute symporter,domain-containing Get druggable targets OG5_131601 All targets in OG5_131601
Echinococcus granulosus high affinity choline transporter 1 Get druggable targets OG5_131601 All targets in OG5_131601
Schistosoma japonicum High affinity choline transporter 1, putative Get druggable targets OG5_131601 All targets in OG5_131601

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
Onchocerca volvulus 0.0129 0.1159 0.1159
Onchocerca volvulus 0.076 1 1
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0129 0.1159 1
Loa Loa (eye worm) hypothetical protein 0.0129 0.1159 0.1159
Loa Loa (eye worm) hypothetical protein 0.0129 0.1159 0.1159
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0129 0.1159 0.1159
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0129 0.1159 0.1159
Loa Loa (eye worm) hypothetical protein 0.0129 0.1159 0.1159
Loa Loa (eye worm) serotonin transporter b 0.076 1 1
Loa Loa (eye worm) hypothetical protein 0.042 0.5232 0.5232
Onchocerca volvulus 0.0129 0.1159 0.1159
Schistosoma mansoni sodium-dependent amino acid transporter 0.0129 0.1159 0.1159
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0129 0.1159 0.1159
Toxoplasma gondii hypothetical protein 0.0129 0.1159 1
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0129 0.1159 0.1159
Loa Loa (eye worm) hypothetical protein 0.0129 0.1159 0.1159
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0129 0.1159 0.1159
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0129 0.1159 0.1159
Loa Loa (eye worm) hypothetical protein 0.0129 0.1159 0.1159
Echinococcus multilocularis serotonin transporter 0.076 1 1
Loa Loa (eye worm) norepinephrine transporter 0.076 1 1
Plasmodium falciparum amino acid transporter, putative 0.0129 0.1159 0.5
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0129 0.1159 0.1159
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0129 0.1159 1
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0129 0.1159 1
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0129 0.1159 0.1159
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0129 0.1159 0.1159
Schistosoma mansoni sodium/chloride dependent transporter 0.076 1 1
Plasmodium falciparum transporter, putative 0.0129 0.1159 0.5
Schistosoma mansoni sodium/chloride dependent transporter 0.0129 0.1159 0.1159
Treponema pallidum sodium- and chloride- dependent transporter 0.076 1 0.5
Echinococcus multilocularis sodium and chloride dependent glycine 0.0129 0.1159 0.1159
Echinococcus granulosus high affinity choline transporter 1 0.042 0.5232 0.5232
Plasmodium vivax hypothetical protein, conserved 0.0129 0.1159 0.5
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0129 0.1159 0.1159
Brugia malayi hypothetical protein 0.0129 0.1159 0.1159
Plasmodium vivax amine transporter, putative 0.0129 0.1159 0.5
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0129 0.1159 0.1159
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0129 0.1159 0.1159
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.076 1 1
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0129 0.1159 0.1159
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0129 0.1159 0.5
Echinococcus granulosus sodium and chloride dependent glycine 0.0129 0.1159 0.1159
Loa Loa (eye worm) solute carrier family 6 member 4 0.076 1 1
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0129 0.1159 0.1159
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.0129 0.1159 0.1159
Echinococcus granulosus sodium and chloride dependent glycine 0.0129 0.1159 0.1159
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0129 0.1159 0.1159
Echinococcus multilocularis high affinity choline transporter 1 0.042 0.5232 0.5232
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0129 0.1159 0.1159
Echinococcus granulosus serotonin transporter 0.076 1 1
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0129 0.1159 0.1159
Schistosoma mansoni sodium/chloride dependent transporter 0.0129 0.1159 0.1159
Loa Loa (eye worm) hypothetical protein 0.0129 0.1159 0.1159
Loa Loa (eye worm) hypothetical protein 0.076 1 1
Schistosoma mansoni high-affinity choline transporter 0.042 0.5232 0.5232
Brugia malayi GH02984p 0.042 0.5232 0.5232
Loa Loa (eye worm) hypothetical protein 0.076 1 1
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0129 0.1159 0.1159
Loa Loa (eye worm) hypothetical protein 0.0129 0.1159 0.1159
Toxoplasma gondii hypothetical protein 0.0129 0.1159 1
Echinococcus multilocularis sodium and chloride dependent glycine 0.0129 0.1159 0.1159
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0129 0.1159 0.1159
Loa Loa (eye worm) hypothetical protein 0.076 1 1
Onchocerca volvulus 0.0129 0.1159 0.1159
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0129 0.1159 0.1159

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) 7.233417961 uM PUBCHEM_BIOASSAY: Dose responses of compounds that inhibit the Choline Transporter (CHT) - 10 point CRC. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) 10 uM PUBCHEM_BIOASSAY: Dose responses of compounds that inhibit the Choline Transporter (CHT) - 5 point CRC. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488975, AID488997, AID493221, AID493222] ChEMBL. No reference
Potency (functional) 11.6891 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.929 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 28.1838 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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