Detailed information for compound 1407403

Basic information

Technical information
  • TDR Targets ID: 1407403
  • Name: N-[3-(3-chlorophenyl)-1,2-oxazol-5-yl]-2-(4,5 ,6,7-tetrahydroindazol-2-yl)acetamide
  • MW: 356.806 | Formula: C18H17ClN4O2
  • H donors: 1 H acceptors: 3 LogP: 3.54 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Cn1cc2c(n1)CCCC2)Nc1onc(c1)c1cccc(c1)Cl
  • InChi: 1S/C18H17ClN4O2/c19-14-6-3-5-12(8-14)16-9-18(25-22-16)20-17(24)11-23-10-13-4-1-2-7-15(13)21-23/h3,5-6,8-10H,1-2,4,7,11H2,(H,20,24)
  • InChiKey: CWYDCRJQKAYFQB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[3-(3-chlorophenyl)isoxazol-5-yl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
  • N-[3-(3-chlorophenyl)-5-isoxazolyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
  • N-[3-(3-chlorophenyl)-1,2-oxazol-5-yl]-2-(4,5,6,7-tetrahydroindazol-2-yl)ethanamide
  • MLS000119816
  • SMR000096737

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Bacillus anthracis Anthrax lethal factor 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
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni hypothetical protein 0.0019 0.0067 0.0067
Loa Loa (eye worm) hypothetical protein 0.0041 0.0285 0.0285
Schistosoma mansoni hypothetical protein 0.0019 0.0067 0.0067
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0067 0.0067
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0067 0.0067
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.1297 0.1297
Loa Loa (eye worm) hypothetical protein 0.006 0.0472 0.0472
Schistosoma mansoni hypothetical protein 0.0019 0.0067 0.0067
Loa Loa (eye worm) hypothetical protein 0.0019 0.0067 0.0067
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0067 0.0067
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0472 0.0472
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0285 0.0285
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.8072 0.8072
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0472 0.0472
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0067 0.0067
Schistosoma mansoni hypothetical protein 0.0019 0.0067 0.0067
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0067 0.0067
Echinococcus granulosus GPCR family 2 0.0019 0.0067 0.0067
Mycobacterium ulcerans hypothetical protein 0.0449 0.4298 0.5
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0067 0.0067
Schistosoma mansoni hypothetical protein 0.0041 0.0285 0.0285
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0979 0.9506 0.9506
Brugia malayi MH2 domain containing protein 0.0144 0.1297 0.1297
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0472 0.0472
Echinococcus multilocularis GPCR, family 2 0.0019 0.0067 0.0067
Mycobacterium tuberculosis Conserved hypothetical membrane protein 0.0449 0.4298 0.5
Echinococcus granulosus microtubule associated protein 2 0.0833 0.8072 0.8072
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.8072 0.8072
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0067 0.0067
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.1297 0.1297

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.1254 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Anthrax Lethal Toxin Internalization. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 15.8489 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 16.3601 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that induce genotoxicity in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493106, AID493143] ChEMBL. No reference
Potency (binding) = 17.7828 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] 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) = 22.3872 um PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Small Molecule Inhibitors of Mitochondrial Division or Activators of Mitochondrial Fusion. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.1093 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 89.1251 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) 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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.