Detailed information for compound 2147400
Basic information
Technical information
- Name: Unnamed compound
- MW: 297.123 | Formula: C15H15N5O2
-
H donors: 3
H acceptors: 3
LogP: 0.69
Rotable bonds: 7
Rule of 5 violations (Lipinski): 0 - SMILES: O=C(CNc1cccc(c1)C(=O)N)N/N=C/c1ccncc1
- InChi: InChI=1S/C15H15N5O2/c16-15(22)12-2-1-3-13(8-12)18-10-14(21)20-19-9-11-4-6-17-7-5-11/h1-9,18H,10H2,(H2,16,22)(H,20,21)/b19-9+
- InChiKey: FENQBUSSSWWVGH-DJKKODMXSA-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 | adrenergic, beta, receptor kinase 1 | No references | |
| Homo sapiens | G protein-coupled receptor kinase 6 | No references | |
| Homo sapiens | G protein-coupled receptor kinase 5 | No references | |
| Homo sapiens | adrenergic, beta, receptor kinase 2 | No 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 |
|---|---|---|---|---|
| Echinococcus multilocularis | beta adrenergic receptor kinase | 0.0255 | 0.4098 | 0.6944 |
| Schistosoma mansoni | serine/threonine protein kinase | 0.0333 | 1 | 1 |
| Echinococcus granulosus | beta-adrenergic receptor kinase | 0.0255 | 0.4098 | 0.6944 |
| Loa Loa (eye worm) | AGC/GRK/GRK protein kinase | 0.0333 | 1 | 1 |
| Echinococcus multilocularis | G protein coupled receptor kinase 6 | 0.0279 | 0.5902 | 1 |
| Loa Loa (eye worm) | AGC/GRK/GRK protein kinase | 0.0279 | 0.5902 | 0.3056 |
| Loa Loa (eye worm) | G protein-coupled receptor kinase 1 | 0.0279 | 0.5902 | 0.3056 |
| Echinococcus granulosus | [G-protein-coupledreceptor] kinase | 0.0279 | 0.5902 | 1 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| IC50 (binding) | = 150 nM | Inhibition of GRK2 in human U2OS cells assessed as inhibition of morphine-induced translocation of arrestin-GFP to mu opioid receptor preincubated for 60 mins by Transfluor assay | ChEMBL. | No reference |
| IC50 (binding) | = 4 uM | Inhibition of GRK2 in human U2OS cells assessed as inhibition of isoproterenol-induced translocation of arrestin-GFP to beta 2 adrenergic receptor preincubated for 60 mins by Transfluor assay | ChEMBL. | No reference |
| IC50 (binding) | > 10 uM | Inhibition of GRK2 in human U2OS cells assessed as inhibition of isoproterenol-induced translocation of arrestin-GFP to beta 1 adrenergic receptor preincubated for 60 mins by Transfluor assay | ChEMBL. | No reference |
| Inhibition (binding) | Inhibition of GRK2 in HEK293 cells overexpressing beta 2 adrenergic receptor assessed as increase in c-AMP accumulation in presence of isoproterenol | ChEMBL. | No reference | |
| Ki (binding) | = 10 nM | Inhibition of human GRK2 after 90 to 120 mins by Kinase-Glo assay | ChEMBL. | No reference |
| Ki (binding) | = 10 nM | Inhibition of GRK3 (unknown origin) after 90 to 120 mins by Kinase-Glo assay | ChEMBL. | No reference |
| Ki (binding) | = 100 nM | Inhibition of GRK5 (unknown origin) after 90 to 120 mins by Kinase-Glo assay | ChEMBL. | No reference |
| Ki (binding) | > 10000 nM | Inhibition of GRK6 (unknown origin) after 90 to 120 mins by Kinase-Glo assay | 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: CHEMBL3729453
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.