Compound Detail
CHEMBL292268
3-METHYLADENINE Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL292268 |
| Name | 3-METHYLADENINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FSASIHFSFGAIJM-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
16
Publications
0
Known Names
Molecular Properties
149.2
MW (Da)
-0.10
ALogP
5
HBA
1
HBD
69.6
PSA (Ų)
0.57
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 3-kinase catalytic subunit type 3 CHEMBL1075165 | IC50 | 4.6 | 4.6 | 25000.0 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform CHEMBL3267 | IC50 | 4.22 | 4.22 | 60000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphatidylinositol 3-kinase catalytic subunit type 3 | IC50 | = | 25000.0 | nM | 4.6 | Inhibition of VPS34 (unknown origin) | 36283182 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | IC50 | = | 60000.0 | nM | 4.22 | Inhibition of P13Kgamma (unknown origin) | 36283182 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37498552 | 10.1021/acs.jmedchem.3c01008 | Bel-7402 | 4 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 26003166 | 10.18632/oncotarget.3940 | Hep 3B2 | 2 |
| 2165159 | 10.1021/jm00170a005 | Phosphatidylinositol 4-kinase, PI4K | 1 |
| - | 10.1007/s00044-012-0346-x | DNA-3-methyladenine glycosylase 1 | 1 |
| 23182216 | 10.1016/j.bmc.2012.10.023 | Growth factor receptor-bound protein 2 | 1 |
| 29541357 | 10.1021/acsmedchemlett.7b00454 | HL-60 | 1 |
| 30303002 | 10.1021/acs.jnatprod.8b00733 | PANC-1 | 1 |
| 36283182 | 10.1016/j.ejmech.2022.114846 | Phosphatidylinositol 3-kinase catalytic subunit type 3 | 1 |
| 36283182 | 10.1016/j.ejmech.2022.114846 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 1 |
| 28105281 | 10.1021/acsmedchemlett.6b00392 | MIA PaCa-2 | 1 |
| 36470106 | 10.1016/j.ejmech.2022.114970 | SK-OV-3 | 1 |
| 36749313 | 10.1021/acs.jmedchem.2c01233 | COS-7 | 1 |
| 38157838 | 10.1016/j.bmc.2023.117561 | Unchecked | 1 |
| 26003166 | 10.18632/oncotarget.3940 | HepG2 | 1 |
| 26003166 | 10.18632/oncotarget.3940 | Mahlavu | 1 |
Data from ChEMBL 36 via Core Engine