Compound Detail
CHEMBL266094
9-BENZYL-9H-ADENINE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL266094 |
| Name | 9-BENZYL-9H-ADENINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MRHCSNNEUHXNIC-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
225.2
MW (Da)
1.46
ALogP
5
HBA
1
HBD
69.6
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.43
Ki 2 meas. best 5.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A2a CHEMBL251 | Ki | 5.07 | 5.07 | 8500.0 | 1 |
| GABA-A receptor; anion channel CHEMBL1907607 | IC50 | 4.43 | 4.43 | 37000.0 | 1 |
| Phosphatidylinositol 4-kinase, PI4K CHEMBL2096619 | Ki | 4.24 | 4.24 | 57900.0 | 1 |
| Phosphatidylinositol 4-kinase, PI4K CHEMBL2096619 | IC50 | 4.07 | 4.07 | 84400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A2a | Ki | = | 8500.0 | nM | 5.07 | Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cell... | 19282184 |
| GABA-A receptor; anion channel | IC50 | = | 37000.0 | nM | 4.43 | Concentration that inhibits binding of 1.5 nM [3H]diazepam to rat brain benzodia... | 2540330 |
| Phosphatidylinositol 4-kinase, PI4K | Ki | = | 57900.0 | nM | 4.24 | Binding affinity (Ki) against human phosphatidylinositol 4-kinase | 2165159 |
| Phosphatidylinositol 4-kinase, PI4K | IC50 | = | 84400.0 | nM | 4.07 | Inhibitory activity (IC50) against human phosphatidylinositol 4-kinase at the AT... | 2165159 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19731917 | 10.1021/jm9006356 | Unchecked | 2 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 2 |
| 2165159 | 10.1021/jm00170a005 | Phosphatidylinositol 4-kinase, PI4K | 2 |
| 15689155 | 10.1021/jm0408767 | Protein kinase C alpha type | 1 |
| 15689155 | 10.1021/jm0408767 | Tyrosine-protein kinase Lck | 1 |
| 15689155 | 10.1021/jm0408767 | Mitogen-activated protein kinase 10 | 1 |
| 35612488 | 10.1021/acs.jmedchem.2c00398 | Protein arginine N-methyltransferase 5 | 1 |
| 15689155 | 10.1021/jm0408767 | Mitogen-activated protein kinase 8 | 1 |
| 15689155 | 10.1021/jm0408767 | Glycogen synthase kinase-3 beta | 1 |
| 15689155 | 10.1021/jm0408767 | Ca2+/calmodulin-dependent protein kinase II (CaM kinase II) | 1 |
| 15689155 | 10.1021/jm0408767 | Mitogen-activated protein kinase 14 | 1 |
| 15689155 | 10.1021/jm0408767 | Rho-associated protein kinase 1 | 1 |
| 15689155 | 10.1021/jm0408767 | RAC-alpha serine/threonine-protein kinase | 1 |
| 15689155 | 10.1021/jm0408767 | cAMP-dependent protein kinase (PKA) | 1 |
| 15689155 | 10.1021/jm0408767 | Dual specificity mitogen-activated protein kinase kinase 1 | 1 |
| 15689155 | 10.1021/jm0408767 | RAF proto-oncogene serine/threonine-protein kinase | 1 |
| 12459008 | 10.1021/jm0203581 | Mus musculus | 1 |
| 9191951 | 10.1021/jm960827x | Phosphodiesterase 4 | 1 |
| 9191951 | 10.1021/jm960827x | Phosphodiesterase 3 | 1 |
| 2540330 | 10.1021/jm00125a015 | GABA-A receptor; anion channel | 1 |
Data from ChEMBL 36 via Core Engine