Detailed information for compound 1759967
Basic information
Technical information
- TDR Targets ID: 1759967
- Name: 2-[(2-fluorophenyl)methylsulfanyl]-N-(2-metho xyphenyl)-5-methyl-7-pyridin-3-yl-1,7-dihydro -[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxami de
- MW: 502.563 | Formula: C26H23FN6O2S
-
H donors: 2
H acceptors: 4
LogP: 4.39
Rotable bonds: 8
Rule of 5 violations (Lipinski): 2 - SMILES: COc1ccccc1NC(=O)C1=C(C)Nc2n(C1c1cccnc1)nc(n2)SCc1ccccc1F
- InChi: 1S/C26H23FN6O2S/c1-16-22(24(34)30-20-11-5-6-12-21(20)35-2)23(17-9-7-13-28-14-17)33-25(29-16)31-26(32-33)36-15-18-8-3-4-10-19(18)27/h3-14,23H,15H2,1-2H3,(H,30,34)(H,29,31,32)
- InChiKey: UAKABNHORSSCQX-UHFFFAOYSA-N
Network
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Synonyms
- 2-[(2-fluorophenyl)methylsulfanyl]-N-(2-methoxyphenyl)-5-methyl-7-(3-pyridyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
- 2-[(2-fluorophenyl)methylthio]-N-(2-methoxyphenyl)-5-methyl-7-(3-pyridyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
- 2-[(2-fluorobenzyl)thio]-N-(2-methoxyphenyl)-5-methyl-7-(3-pyridyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
- NCGC00104413-01
- Oprea1_110028
- C118-0457
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | ubiquitin specific peptidase 1 | 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 |
|---|---|---|---|---|
| Trichomonas vaginalis | casein kinase II beta chain, putative | 0.2231 | 0.5412 | 0.4586 |
| Trichomonas vaginalis | casein kinase II beta chain, putative | 0.2231 | 0.5412 | 0.4586 |
| Trichomonas vaginalis | casein kinase II beta chain, putative | 0.2231 | 0.5412 | 0.4586 |
| Trichomonas vaginalis | CMGC family protein kinase | 0.4096 | 1 | 1 |
| Plasmodium falciparum | casein kinase 2, alpha subunit | 0.4096 | 1 | 1 |
| Trichomonas vaginalis | CMGC family protein kinase | 0.4096 | 1 | 1 |
| Trichomonas vaginalis | casein kinase II beta chain, putative | 0.2231 | 0.5412 | 0.4586 |
| Schistosoma mansoni | protein kinase | 0.4096 | 1 | 1 |
| Toxoplasma gondii | CMGC kinase, CK2 family | 0.4096 | 1 | 1 |
| Trichomonas vaginalis | casein kinase II beta chain, putative | 0.2231 | 0.5412 | 0.4586 |
| Trichomonas vaginalis | CMGC family protein kinase | 0.4096 | 1 | 1 |
| Onchocerca volvulus | Casein kinase II subunit beta homolog | 0.2231 | 0.5412 | 0.5 |
| Trichomonas vaginalis | casein kinase II beta chain, putative | 0.2231 | 0.5412 | 0.4586 |
| Trypanosoma cruzi | casein kinase II, putative | 0.4096 | 1 | 1 |
| Onchocerca volvulus | Casein kinase II subunit beta homolog | 0.2231 | 0.5412 | 0.5 |
| Trichomonas vaginalis | casein kinase II beta chain, putative | 0.2231 | 0.5412 | 0.4586 |
| Entamoeba histolytica | casein kinase II regulatory subunit family protein | 0.2231 | 0.5412 | 0.4586 |
| Schistosoma mansoni | casein kinase II beta subunit | 0.2231 | 0.5412 | 0.5412 |
| Giardia lamblia | Casein kinase II beta chain | 0.2231 | 0.5412 | 0.4586 |
| Trichomonas vaginalis | CMGC family protein kinase | 0.4096 | 1 | 1 |
| Loa Loa (eye worm) | CMGC/CK2 protein kinase | 0.4096 | 1 | 1 |
| Entamoeba histolytica | casein kinase, putative | 0.4096 | 1 | 1 |
| Trichomonas vaginalis | CMGC family protein kinase | 0.4096 | 1 | 1 |
| Plasmodium vivax | unspecified product | 0.4096 | 1 | 1 |
| Trichomonas vaginalis | casein kinase II beta chain, putative | 0.2231 | 0.5412 | 0.4586 |
| Trichomonas vaginalis | casein kinase II beta chain, putative | 0.2231 | 0.5412 | 0.4586 |
| Trichomonas vaginalis | casein kinase II beta chain, putative | 0.2231 | 0.5412 | 0.4586 |
| Entamoeba histolytica | protein kinase domain containing protein | 0.4096 | 1 | 1 |
| Entamoeba histolytica | casein kinase II regulatory subunit family protein | 0.2231 | 0.5412 | 0.4586 |
| Brugia malayi | Csnk2b protein | 0.2231 | 0.5412 | 0.4586 |
| Trichomonas vaginalis | casein kinase II beta chain, putative | 0.2231 | 0.5412 | 0.4586 |
| Trichomonas vaginalis | CMGC family protein kinase | 0.4096 | 1 | 1 |
| Leishmania major | casein kinase II, putative | 0.4096 | 1 | 1 |
| Entamoeba histolytica | casein kinase II regulatory subunit family protein | 0.2231 | 0.5412 | 0.4586 |
| Echinococcus multilocularis | casein kinase ii subunit alpha | 0.4096 | 1 | 1 |
| Echinococcus granulosus | casein kinase ii subunit alpha | 0.4096 | 1 | 1 |
| Trypanosoma brucei | Casein kinase II | 0.4096 | 1 | 1 |
| Loa Loa (eye worm) | Csnk2b protein | 0.2231 | 0.5412 | 0.4586 |
| Trichomonas vaginalis | casein kinase II beta chain, putative | 0.2231 | 0.5412 | 0.4586 |
| Giardia lamblia | Kinase, CMGC CK2 | 0.4096 | 1 | 1 |
| Plasmodium vivax | casein kinase 2, alpha subunit, putative | 0.4096 | 1 | 1 |
| Trichomonas vaginalis | casein kinase II beta chain, putative | 0.2231 | 0.5412 | 0.4586 |
| Trichomonas vaginalis | casein kinase II beta chain, putative | 0.2231 | 0.5412 | 0.4586 |
| Trichomonas vaginalis | casein kinase II beta chain, putative | 0.2231 | 0.5412 | 0.4586 |
| Trichomonas vaginalis | CMGC family protein kinase | 0.4096 | 1 | 1 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Potency (functional) | 8.9125 uM | PubChem BioAssay. Inhibitors of USP1/UAF1: 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: CHEMBL2357561
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.