Detailed information for compound 1386834

Basic information

Technical information
  • TDR Targets ID: 1386834
  • Name: N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]m ethyl]-N-methyl-1-(1-methylpyrazol-4-yl)metha namine
  • MW: 317.773 | Formula: C15H16ClN5O
  • H donors: 0 H acceptors: 3 LogP: 2.11 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(Cc1onc(n1)c1ccc(cc1)Cl)Cc1cnn(c1)C
  • InChi: 1S/C15H16ClN5O/c1-20(8-11-7-17-21(2)9-11)10-14-18-15(19-22-14)12-3-5-13(16)6-4-12/h3-7,9H,8,10H2,1-2H3
  • InChiKey: PIUYSCPRQOQMNM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(1-methyl-4-pyrazolyl)methanamine
  • [3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methyl-[(1-methylpyrazol-4-yl)methyl]amine
  • 1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]methanamine
  • MLS000732358
  • SMR000315603

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens glycoprotein hormones, alpha polypeptide 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 japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
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 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 Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 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
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
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 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 %
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0055 0.1105 0.1105
Leishmania major adenine aminohydrolase 0.0169 1 1
Mycobacterium tuberculosis Probable adenosine deaminase Add (adenosine aminohydrolase) 0.0169 1 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.1111 0.1111
Trichomonas vaginalis adenosine deaminase, putative 0.0169 1 0.5
Schistosoma mansoni AMP deaminase 0.0055 0.1105 0.1105
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1111 0.1111
Trypanosoma cruzi adenosine monophosphate deaminase-like protein, putative 0.0055 0.1105 0.5
Toxoplasma gondii Adenosine/AMP deaminase domain-containing protein 0.0169 1 1
Schistosoma mansoni adenosine deaminase-related 0.0169 1 1
Echinococcus granulosus adenosine deaminase 0.0169 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1111 0.1111
Trypanosoma cruzi AMP deaminase, putative 0.0055 0.1105 0.5
Brugia malayi adenosine monophosphate deaminase 0.0055 0.1105 0.1105
Mycobacterium leprae Probable adenosine deaminase Add (ADENOSINE AMINOHYDROLASE) 0.0169 1 0.5
Onchocerca volvulus Adenosine deaminase homolog 0.0169 1 1
Schistosoma mansoni adenosine deaminase 0.0169 1 1
Loa Loa (eye worm) hypothetical protein 0.0114 0.5702 0.5702
Onchocerca volvulus AMP deaminase 2 homolog 0.0055 0.1105 0.1105
Treponema pallidum adenosine deaminase 0.0169 1 0.5
Trypanosoma cruzi AMP deaminase, putative 0.0055 0.1105 0.5
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.1111 0.1111
Loa Loa (eye worm) hypothetical protein 0.0114 0.5702 0.5702
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1111 0.1111
Onchocerca volvulus 0.0055 0.1105 0.1105
Entamoeba histolytica adenosine deaminase, putative 0.0169 1 1
Trichomonas vaginalis adenosine deaminase, putative 0.0169 1 0.5
Toxoplasma gondii Adenosine/AMP deaminase domain-containing protein 0.0169 1 1
Trypanosoma cruzi adenosine monophosphate deaminase, putative 0.0055 0.1105 0.5
Plasmodium falciparum adenosine deaminase 0.0169 1 1
Trypanosoma cruzi AMP deaminase, putative 0.0055 0.1105 0.5
Entamoeba histolytica adenosine deaminase, putative 0.0169 1 1
Trypanosoma cruzi AMP deaminase, putative 0.0055 0.1105 0.5
Mycobacterium ulcerans adenosine deaminase 0.0169 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0114 0.5702 0.5702
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1111 0.1111
Trypanosoma brucei adenosine monophosphate deaminase, putative 0.0055 0.1105 0.5
Trypanosoma brucei AMP deaminase, putative 0.0055 0.1105 0.5
Loa Loa (eye worm) AMP deaminase 0.0055 0.1105 0.1105
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1111 0.1111
Trypanosoma brucei AMP deaminase, putative 0.0055 0.1105 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1111 0.1111
Loa Loa (eye worm) hypothetical protein 0.0114 0.5702 0.5702
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1111 0.1111
Loa Loa (eye worm) hypothetical protein 0.0169 1 1
Echinococcus granulosus AMP deaminase 2 0.0055 0.1105 0.1105
Trypanosoma cruzi AMP deaminase 2, putative 0.0055 0.1105 0.5
Plasmodium vivax adenosine deaminase, putative 0.0169 1 1
Trypanosoma cruzi AMP deaminase, putative 0.0055 0.1105 0.5
Echinococcus multilocularis adenosine deaminase 0.0169 1 1
Trypanosoma brucei AMP deaminase, putative 0.0055 0.1105 0.5
Echinococcus multilocularis AMP deaminase 2 0.0055 0.1105 0.1105

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.2387 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) 3.5481 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 7.9433 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (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, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] 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) 35.4813 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 100 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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