Compound Detail
CHEMBL5176372
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COC[C@@H]1COC(=O)N1c1cn2c(n1)-c1ccc(N3CCC[C@H]3C(N)=O)cc1OCC2
Basic Information
| ChEMBL ID | CHEMBL5176372 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CLVCERILQPIBJR-ZBFHGGJFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
427.5
MW (Da)
1.37
ALogP
8
HBA
1
HBD
112.2
PSA (Ų)
0.77
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL4005 | Ki | 8.49 | 8.49 | 3.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Ki | = | 3.24 | nM | 8.49 | Inhibition of PI3Kalpha (unknown origin) using PIP2:3PS as substrate in presence... | 36455032 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36455032 | 10.1021/acs.jmedchem.2c01422 | No relevant target | 2 |
| 36455032 | 10.1021/acs.jmedchem.2c01422 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 1 |
| 36455032 | 10.1021/acs.jmedchem.2c01422 | Unchecked | 1 |
| 36455032 | 10.1021/acs.jmedchem.2c01422 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine