Compound Detail
CHEMBL4749877
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Basic Information
| ChEMBL ID | CHEMBL4749877 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QGHVFQKTEHYINV-ZDUSSCGKSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
400.4
MW (Da)
3.95
ALogP
6
HBA
2
HBD
88.0
PSA (Ų)
0.48
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130 | IC50 | 8.01 | 8.01 | 9.8 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform CHEMBL3145 | IC50 | 6.72 | 6.72 | 191.0 | 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 delta isoform | IC50 | = | 9.8 | nM | 8.01 | Inhibition of PI3Kdelta in human Raji cells assessed as reduction in phosphoryla... | 33297683 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform | IC50 | = | 191.0 | nM | 6.72 | Inhibition of PI3Kbeta in human 786-O cells assessed as reduction in phosphoryla... | 33297683 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33297683 | 10.1021/acs.jmedchem.0c01264 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 4 |
| 33297683 | 10.1021/acs.jmedchem.0c01264 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 3 |
| 33297683 | 10.1021/acs.jmedchem.0c01264 | ADMET | 3 |
| 33297683 | 10.1021/acs.jmedchem.0c01264 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform | 1 |
| 33297683 | 10.1021/acs.jmedchem.0c01264 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 1 |
Data from ChEMBL 36 via Core Engine