Detailed information for compound 1663575
Basic information
Technical information
- Name: Unnamed compound
- MW: 291.347 | Formula: C18H17N3O
-
H donors: 1
H acceptors: 2
LogP: 5.03
Rotable bonds: 3
Rule of 5 violations (Lipinski): 1 - SMILES: N#Cc1ccc2c(c1)oc(n2)Nc1ccc(cc1)C(C)(C)C
- InChi: 1S/C18H17N3O/c1-18(2,3)13-5-7-14(8-6-13)20-17-21-15-9-4-12(11-19)10-16(15)22-17/h4-10H,1-3H3,(H,20,21)
- InChiKey: RNEAYAHGULAXBV-UHFFFAOYSA-N
Network
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Synonyms
No synonyms found for this compound
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | casein kinase 1, gamma 2 | Starlite/ChEMBL | References |
| Homo sapiens | casein kinase 1, delta | Starlite/ChEMBL | References |
Predicted pathogen targets for this compound
By orthology
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 |
|---|---|---|---|---|
| Loa Loa (eye worm) | protein kinase domain-containing protein | 0.0075 | 0.2057 | 0.2057 |
| Trichomonas vaginalis | CMGC family protein kinase | 0.0178 | 1 | 1 |
| Echinococcus granulosus | mitogen activated protein kinase | 0.0178 | 1 | 1 |
| Entamoeba histolytica | casein kinase, putative | 0.0048 | 0 | 0.5 |
| Echinococcus multilocularis | mitogen activated protein kinase | 0.0178 | 1 | 1 |
| Trypanosoma cruzi | mitogen-activated protein kinase 11, putative | 0.0178 | 1 | 1 |
| Loa Loa (eye worm) | CMGC/MAPK/ERK1 protein kinase | 0.0178 | 1 | 1 |
| Plasmodium falciparum | casein kinase 1 | 0.0048 | 0 | 0.5 |
| Trypanosoma cruzi | mitogen activated protein kinase 2, putative | 0.0178 | 1 | 1 |
| Trypanosoma brucei | protein kinase, putative | 0.0178 | 1 | 1 |
| Echinococcus multilocularis | casein kinase I gamma | 0.0075 | 0.2057 | 0.2057 |
| Echinococcus multilocularis | mitogen activated protein kinase 3 | 0.0178 | 1 | 1 |
| Onchocerca volvulus | 0.0048 | 0 | 0.5 | |
| Trypanosoma cruzi | mitogen activated protein kinase 4, putative | 0.0178 | 1 | 1 |
| Loa Loa (eye worm) | casein kinase | 0.0072 | 0.1863 | 0.1863 |
| Entamoeba histolytica | casein kinase 1, putative | 0.0048 | 0 | 0.5 |
| Trypanosoma brucei | mitogen activated protein kinase 4, putative | 0.0178 | 1 | 1 |
| Trichomonas vaginalis | CMGC family protein kinase | 0.0178 | 1 | 1 |
| Trichomonas vaginalis | CMGC family protein kinase | 0.0178 | 1 | 1 |
| Trichomonas vaginalis | CMGC family protein kinase | 0.0178 | 1 | 1 |
| Leishmania major | mitogen activated protein kinase, putative,map kinase, putative | 0.0178 | 1 | 1 |
| Giardia lamblia | Kinase, CMGC MAPK | 0.0178 | 1 | 1 |
| Toxoplasma gondii | CMGC kinase, MAPK family (ERK) MAPK-1 | 0.0178 | 1 | 1 |
| Schistosoma mansoni | serine/threonine protein kinase | 0.0075 | 0.2057 | 0.2057 |
| Echinococcus granulosus | mitogen activated protein kinase 3 | 0.0178 | 1 | 1 |
| Echinococcus granulosus | casein kinase I gamma | 0.0075 | 0.2057 | 0.2057 |
| Plasmodium vivax | casein kinase 1, putative | 0.0048 | 0 | 0.5 |
| Leishmania major | mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 | 0.0178 | 1 | 1 |
| Brugia malayi | Protein kinase domain containing protein | 0.0075 | 0.2057 | 0.2057 |
| Trypanosoma cruzi | mitogen-activated protein kinase 11, putative | 0.0178 | 1 | 1 |
| Schistosoma mansoni | serine/threonine protein kinase | 0.0178 | 1 | 1 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| IC50 (binding) | = 2.37 uM | Inhibition of CK1delta by Lance assay | ChEMBL. | 22877629 |
| IC50 (binding) | = 14.9 uM | Inhibition of CK1gamma2 expressed in HEK293 cells assessed as inhibition of LRP6 Thr1479 phosphorylation by immunoblotting | ChEMBL. | 22877629 |
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: CHEMBL2071623
Bibliographic References
1 literature reference was collected for this gene.
If you have references for this compound, please enter them in a user comment (below) or Contact us.