Detailed information for compound 1559871

Basic information

Technical information
  • TDR Targets ID: 1559871
  • Name: 4-(4-bromophenyl)sulfonyl-N-(2-morpholin-4-yl ethyl)-2-phenyl-1,3-oxazol-5-amine
  • MW: 492.386 | Formula: C21H22BrN3O4S
  • H donors: 1 H acceptors: 3 LogP: 4.35 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: Brc1ccc(cc1)S(=O)(=O)c1nc(oc1NCCN1CCOCC1)c1ccccc1
  • InChi: 1S/C21H22BrN3O4S/c22-17-6-8-18(9-7-17)30(26,27)21-20(23-10-11-25-12-14-28-15-13-25)29-19(24-21)16-4-2-1-3-5-16/h1-9,23H,10-15H2
  • InChiKey: YCVWJPHPKWMCJS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-(4-bromophenyl)sulfonyl-N-(2-morpholinoethyl)-2-phenyl-oxazol-5-amine
  • 4-(4-bromophenyl)sulfonyl-N-(2-morpholinoethyl)-2-phenyl-5-oxazolamine
  • [4-(4-bromophenyl)sulfonyl-2-phenyl-oxazol-5-yl]-(2-morpholinoethyl)amine

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
Loa Loa (eye worm) hypothetical protein 0.016 0.3508 1
Loa Loa (eye worm) hypothetical protein 0.016 0.3508 1
Echinococcus granulosus serotonin transporter 0.016 0.3508 0.3508
Plasmodium vivax kinesin-5 0.0053 0.0675 1
Schistosoma mansoni hypothetical protein 0.0354 0.8608 1
Loa Loa (eye worm) kinesin-like protein KLP2 0.0053 0.0675 0.1924
Entamoeba histolytica kinesin, putative 0.0053 0.0675 0.5
Loa Loa (eye worm) serotonin transporter b 0.016 0.3508 1
Echinococcus multilocularis serotonin transporter 0.016 0.3508 0.3508
Loa Loa (eye worm) norepinephrine transporter 0.016 0.3508 1
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.016 0.3508 0.4076
Schistosoma mansoni kinesin eg-5 0.0053 0.0675 0.0784
Plasmodium falciparum kinesin-5 0.0053 0.0675 1
Schistosoma mansoni sodium/chloride dependent transporter 0.016 0.3508 0.4076
Brugia malayi Sodium:neurotransmitter symporter family protein 0.016 0.3508 1
Treponema pallidum sodium- and chloride- dependent transporter 0.016 0.3508 0.5
Giardia lamblia Kinesin-5 0.0053 0.0675 0.5
Loa Loa (eye worm) hypothetical protein 0.016 0.3508 1
Toxoplasma gondii kinesin motor domain-containing protein 0.0053 0.0675 1
Brugia malayi Kinesin motor domain containing protein 0.0053 0.0675 0.1924
Onchocerca volvulus 0.016 0.3508 1
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0027 0 0.5
Echinococcus multilocularis kinesin family 1 0.0406 1 1
Loa Loa (eye worm) solute carrier family 6 member 4 0.016 0.3508 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 100 uM PUBCHEM_BIOASSAY: Discovery of Small Molecule Probes for H1N1 Influenza NS1A. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504399] ChEMBL. No reference
Potency (functional) 9.285 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) 12.5893 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) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 70.7946 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) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
Homo sapiens 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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