Compound Detail
CHEMBL407391
DIMETHYLADENINE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL407391 |
| Name | DIMETHYLADENINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BVIAOQMSVZHOJM-UHFFFAOYSA-N |
12
Targets
16
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
163.2
MW (Da)
0.42
ALogP
4
HBA
1
HBD
57.7
PSA (Ų)
0.66
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 12 meas. best 5.96
IC50 4 meas. best 5.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 2/cyclin E1 CHEMBL1907605 | Ki | 5.96 | 5.96 | 1096.5 | 1 |
| Leucine-rich repeat serine/threonine-protein kinase 2 CHEMBL1075104 | Ki | 5.85 | 5.85 | 1425.0 | 1 |
| Leucine-rich repeat serine/threonine-protein kinase 2 CHEMBL1075104 | IC50 | 5.47 | 5.47 | 3355.0 | 1 |
| Serine/threonine-protein kinase Chk2 CHEMBL2527 | Ki | 5.4 | 5.4 | 3981.1 | 1 |
| Aurora kinase A CHEMBL4722 | Ki | 5.4 | 5.4 | 3981.1 | 1 |
| Ribosomal protein S6 kinase alpha-3 CHEMBL2345 | Ki | 5.3 | 5.3 | 5011.9 | 1 |
| MAP/microtubule affinity-regulating kinase 3 CHEMBL5600 | Ki | 5.3 | 5.3 | 5011.9 | 1 |
| 3-phosphoinositide-dependent protein kinase 1 CHEMBL2534 | Ki | 5.1 | 5.1 | 7943.3 | 1 |
| Serine/threonine-protein kinase MARK2 CHEMBL3831 | Ki | 5.1 | 5.1 | 7943.3 | 1 |
| Protein kinase C delta type CHEMBL2996 | Ki | 4.9 | 4.9 | 12589.2 | 1 |
| Serine/threonine-protein kinase Chk1 CHEMBL4630 | Ki | 4.9 | 4.9 | 12589.2 | 1 |
| cAMP-dependent protein kinase catalytic subunit alpha CHEMBL4101 | Ki | 4.8 | 4.8 | 15848.9 | 1 |
| Heat shock protein HSP90 CHEMBL2095165 | IC50 | 2.82 | 2.82 | 1500000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18077363 | 10.1073/pnas.0708800104 | Serine/threonine-protein kinase 26 | 2 |
| 18077363 | 10.1073/pnas.0708800104 | Ribosomal protein S6 kinase alpha-3 | 2 |
| 34184879 | 10.1021/acs.jmedchem.1c00720 | Leucine-rich repeat serine/threonine-protein kinase 2 | 2 |
| 2165159 | 10.1021/jm00170a005 | Phosphatidylinositol 4-kinase, PI4K | 2 |
| 18077363 | 10.1073/pnas.0708800104 | Calcium/calmodulin-dependent protein kinase type 1D | 1 |
| 18077363 | 10.1073/pnas.0708800104 | Cyclin-dependent kinase 2 | 1 |
| 18077363 | 10.1073/pnas.0708800104 | Calcium/calmodulin-dependent protein kinase kinase 2 | 1 |
| 18077363 | 10.1073/pnas.0708800104 | Calcium/calmodulin-dependent protein kinase type II subunit gamma | 1 |
| 18077363 | 10.1073/pnas.0708800104 | Calcium/calmodulin-dependent protein kinase type II subunit delta | 1 |
| 18077363 | 10.1073/pnas.0708800104 | Calcium/calmodulin-dependent protein kinase type II subunit beta | 1 |
| 18077363 | 10.1073/pnas.0708800104 | Calcium/calmodulin-dependent protein kinase type II subunit alpha | 1 |
| 18077363 | 10.1073/pnas.0708800104 | Calcium/calmodulin-dependent protein kinase type 1G | 1 |
| 18077363 | 10.1073/pnas.0708800104 | 5'-AMP-activated protein kinase catalytic subunit alpha-2 | 1 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 1 |
| 22289061 | 10.1021/jm200979x | Protein-tyrosine kinase 2-beta | 1 |
| 22289061 | 10.1021/jm200979x | Tyrosine-protein kinase ZAP-70 | 1 |
| 22289061 | 10.1021/jm200979x | Cyclin-dependent kinase 2/cyclin E1 | 1 |
| 21134755 | 10.1016/j.bmc.2010.11.004 | Mitogen-activated protein kinase kinase kinase 5 | 1 |
| 18077363 | 10.1073/pnas.0708800104 | HeLa | 1 |
| 18077363 | 10.1073/pnas.0708800104 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine