Compound Detail
CHEMBL4855444
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Basic Information
| ChEMBL ID | CHEMBL4855444 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BKNUWOQIJVIGMO-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
415.5
MW (Da)
2.18
ALogP
7
HBA
3
HBD
123.1
PSA (Ų)
0.57
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform CHEMBL3267 | IC50 | 6.06 | 6.06 | 880.0 | 2 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL4005 | IC50 | 5.03 | 5.03 | 9400.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.03 | 5.03 | 9400.0 | 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 gamma isoform | IC50 | = | 880.0 | nM | 6.06 | Inhibition of PI3Kgamma (unknown origin) using phosphatidylinositol as substrate... | 34384024 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | IC50 | = | 880.0 | nM | 6.06 | TR-FRET Adapta Assay for PI 3-Kinase Gamma (E), PI 3-Kinase Delta (F): The TR-FR... | - |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | IC50 | = | 9400.0 | nM | 5.03 | Inhibition of PI3Kalpha (unknown origin) using L-alpha-phosphatidylinositol as s... | 34384024 |
| Unchecked | IC50 | = | 9400.0 | nM | 5.03 | Kinase Glo Luminescent Kinase Assay (Kglo) for PI 3-Kinase Alpha (A), PI 3-Kinas... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34384024 | 10.1021/acs.jmedchem.1c00986 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 1 |
| 34384024 | 10.1021/acs.jmedchem.1c00986 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 1 |
| 34384024 | 10.1021/acs.jmedchem.1c00986 | ADMET | 1 |
| 34384024 | 10.1021/acs.jmedchem.1c00986 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine