Detailed information for compound 1302567

Basic information

Technical information
  • TDR Targets ID: 1302567
  • Name: 5-(3,4-dichlorophenyl)-N-(3-morpholin-4-ylpro pyl)-1,2-oxazole-3-carboxamide
  • MW: 384.257 | Formula: C17H19Cl2N3O3
  • H donors: 1 H acceptors: 2 LogP: 2.92 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1noc(c1)c1ccc(c(c1)Cl)Cl)NCCCN1CCOCC1
  • InChi: 1S/C17H19Cl2N3O3/c18-13-3-2-12(10-14(13)19)16-11-15(21-25-16)17(23)20-4-1-5-22-6-8-24-9-7-22/h2-3,10-11H,1,4-9H2,(H,20,23)
  • InChiKey: ZLPRYVWLZMNHBS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-(3,4-dichlorophenyl)-N-(3-morpholinopropyl)isoxazole-3-carboxamide
  • 5-(3,4-dichlorophenyl)-N-(3-morpholinopropyl)-3-isoxazolecarboxamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.162 0.162
Loa Loa (eye worm) hypothetical protein 0.0025 0.0944 0.2201
Trichomonas vaginalis DNA helicase recq, putative 0.0019 0.0614 0.5
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0019 0.0614 0.0593
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0944 1
Entamoeba histolytica hypothetical protein 0.0035 0.162 1
Loa Loa (eye worm) RNA binding protein 0.0076 0.4287 1
Schistosoma mansoni DNA helicase recq1 0.0019 0.0614 0.0614
Echinococcus granulosus bloom syndrome protein 0.0019 0.0614 0.0547
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0019 0.0614 0.0547
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4287 0.4287
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0019 0.0614 0.651
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0944 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.2918 0.2868
Schistosoma mansoni hypothetical protein 0.0165 1 1
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0019 0.0614 0.0593
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4287 0.4287
Schistosoma mansoni DNA helicase recq5 0.0019 0.0614 0.0614
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0019 0.0614 0.0547
Echinococcus multilocularis tar DNA binding protein 0.0076 0.4287 0.4247
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4287 0.4287
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0944 1
Treponema pallidum ATP-dependent DNA helicase 0.001 0.00000000051673 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.2918 0.2868
Schistosoma mansoni hypothetical protein 0.0035 0.162 0.162
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.2918 0.6494
Entamoeba histolytica recQ family helicase, putative 0.0019 0.0614 0.3793
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.2918 0.2868
Loa Loa (eye worm) RecQ helicase 0.0019 0.0614 0.1433
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0019 0.0614 0.1433
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4287 0.4287
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0019 0.0614 0.0547
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0944 1
Loa Loa (eye worm) TAR-binding protein 0.0076 0.4287 1
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0019 0.0614 0.651
Giardia lamblia Sgs1 DNA helicase, putative 0.0019 0.0614 0.5
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.2918 0.6807
Schistosoma mansoni hypothetical protein 0.0165 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.2918 0.2918
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4287 0.4287
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.2918 0.2868
Schistosoma mansoni hypothetical protein 0.0011 0.0071 0.0071
Trichomonas vaginalis DNA helicase recq1, putative 0.0019 0.0614 0.5
Entamoeba histolytica hypothetical protein 0.0035 0.162 1
Brugia malayi TAR-binding protein 0.0076 0.4287 1
Leishmania major hypothetical protein, conserved 0.0025 0.0944 1
Brugia malayi Bloom's syndrome protein homolog 0.0019 0.0614 0.0593
Entamoeba histolytica hypothetical protein 0.0035 0.162 1
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0019 0.0614 0.0547
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.4287 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.2918 0.2918
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.162 0.156
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0944 1
Brugia malayi RNA binding protein 0.0076 0.4287 1
Loa Loa (eye worm) hypothetical protein 0.001 0.00000000051673 0.0000000012052
Entamoeba histolytica hypothetical protein 0.0035 0.162 1
Echinococcus multilocularis bloom syndrome protein 0.0019 0.0614 0.0547
Trichomonas vaginalis DNA helicase recq, putative 0.0019 0.0614 0.5
Brugia malayi hypothetical protein 0.0025 0.0944 0.1436
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.2918 0.2918
Loa Loa (eye worm) hypothetical protein 0.0019 0.0614 0.1433
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0944 1
Echinococcus granulosus tar DNA binding protein 0.0076 0.4287 0.4247
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0019 0.0614 0.651
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0944 1
Brugia malayi hypothetical protein 0.0035 0.162 0.3168
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.162 0.156
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.4287 1
Echinococcus multilocularis geminin 0.0165 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 7.0795 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 8.2753 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) 8.9125 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 9.285 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) 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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