Detailed information for compound 1128535

Basic information

Technical information
  • TDR Targets ID: 1128535
  • Name: N-(cyclopropylmethyl)-5-phenyl-2-[(3-pyridin- 3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyraz ole-3-carboxamide
  • MW: 401.461 | Formula: C23H23N5O2
  • H donors: 1 H acceptors: 3 LogP: 2.74 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1cc(nn1CC1ON=C(C1)c1cccnc1)c1ccccc1)NCC1CC1
  • InChi: 1S/C23H23N5O2/c29-23(25-13-16-8-9-16)22-12-20(17-5-2-1-3-6-17)26-28(22)15-19-11-21(27-30-19)18-7-4-10-24-14-18/h1-7,10,12,14,16,19H,8-9,11,13,15H2,(H,25,29)
  • InChiKey: UBYUNXLEBJEYNS-UHFFFAOYSA-N  

Network

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Synonyms

  • N-(cyclopropylmethyl)-5-phenyl-2-[[3-(3-pyridyl)-4,5-dihydroisoxazol-5-yl]methyl]pyrazole-3-carboxamide
  • N-(cyclopropylmethyl)-5-phenyl-2-[[3-(3-pyridyl)-4,5-dihydroisoxazol-5-yl]methyl]-3-pyrazolecarboxamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens polymerase (DNA directed) iota Starlite/ChEMBL No references

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
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 1 1
Trypanosoma brucei unspecified product 0.0023 1 1
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0023 1 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 1 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 1 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 1 1
Echinococcus multilocularis dna polymerase kappa 0.0023 1 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 1 0.5
Brugia malayi ImpB/MucB/SamB family protein 0.0023 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 1 1
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0023 1 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 1 1
Echinococcus granulosus dna polymerase eta 0.0023 1 1
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0023 1 1
Echinococcus multilocularis dna polymerase eta 0.0023 1 1
Trichomonas vaginalis DNA polymerase eta, putative 0.0023 1 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 1 1
Leishmania major DNA polymerase eta, putative 0.0023 1 0.5
Mycobacterium ulcerans DNA polymerase IV 0.0023 1 0.5
Echinococcus granulosus dna polymerase kappa 0.0023 1 1
Giardia lamblia DINP protein human, muc B family 0.0023 1 0.5
Trypanosoma cruzi DNA polymerase eta, putative 0.0023 1 0.5
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0023 1 1
Loa Loa (eye worm) hypothetical protein 0.0023 1 1
Onchocerca volvulus Bile acid receptor homolog 0.0011 0 0.5
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0023 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 1 1
Leishmania major DNA polymerase kappa, putative 0.0023 1 0.5
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0023 1 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 1 1
Mycobacterium ulcerans DNA polymerase IV 0.0023 1 0.5
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0011 0 0.5
Trypanosoma brucei DNA polymerase IV, putative 0.0023 1 1
Schistosoma mansoni terminal deoxycytidyl transferase 0.0023 1 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 1 0.5
Trypanosoma brucei DNA polymerase IV, putative 0.0023 1 1
Onchocerca volvulus 0.0011 0 0.5
Entamoeba histolytica deoxycytidyl transferase, putative 0.0023 1 0.5
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 1 0.5
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0023 1 1
Trypanosoma brucei DNA polymerase eta, putative 0.0023 1 1
Trypanosoma brucei DNA polymerase IV, putative 0.0023 1 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0011 0 0.5
Schistosoma mansoni DNA polymerase eta 0.0023 1 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0023 1 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 10 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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) 112.2018 uM PubChem BioAssay. qHTS for Agonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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.