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
Hover on a compound node to display the structore
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.
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
- ChEMBL: CHEMBL1870870
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.