Compound Detail
CHEMBL4449676
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Basic Information
| ChEMBL ID | CHEMBL4449676 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NTRGGWDIDVNWMQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
233.3
MW (Da)
3.71
ALogP
1
HBA
2
HBD
44.5
PSA (Ų)
0.52
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130 | IC50 | 5.1 | 5.1 | 7943.3 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform CHEMBL3145 | IC50 | 4.6 | 4.6 | 25118.9 | 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 | = | 7943.28 | nM | 5.1 | Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate preincubated fo... | 30532965 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform | IC50 | = | 25118.86 | nM | 4.6 | Inhibition of PI3Kbeta (unknown origin) using PIP2 as substrate preincubated for... | 30532965 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30532965 | 10.1021/acs.jmedchem.8b01556 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 1 |
| 30532965 | 10.1021/acs.jmedchem.8b01556 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 1 |
| 30532965 | 10.1021/acs.jmedchem.8b01556 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform | 1 |
| 30532965 | 10.1021/acs.jmedchem.8b01556 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 1 |
Data from ChEMBL 36 via Core Engine