Compound Detail
CHEMBL2397190
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Basic Information
| ChEMBL ID | CHEMBL2397190 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VNGAUNCZCLFPCA-CYBMUJFWSA-N |
2
Targets
2
Activities
1
Assay Types
1
PK Parameters
6
Publications
0
Known Names
Molecular Properties
387.5
MW (Da)
3.29
ALogP
5
HBA
2
HBD
101.2
PSA (Ų)
0.84
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130 | IC50 | 5.48 | 5.48 | 3300.0 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform CHEMBL3145 | IC50 | 5.09 | 5.09 | 8200.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 36.0 | mL.min-1.g-1 | Rattus norvegicus |
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 | = | 3300.0 | nM | 5.48 | Inhibition of P110delta (unknown origin) using PIP2:PS as substrate by TR-FRET a... | 23726034 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform | IC50 | = | 8200.0 | nM | 5.09 | Inhibition of P110beta (unknown origin) using L-a-phosphatidylinositol as substr... | 23726034 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23726034 | 10.1016/j.bmcl.2013.05.007 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 2 |
| 23726034 | 10.1016/j.bmcl.2013.05.007 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform | 2 |
| 23726034 | 10.1016/j.bmcl.2013.05.007 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 2 |
| 23726034 | 10.1016/j.bmcl.2013.05.007 | Liver microsomes | 1 |
| 23726034 | 10.1016/j.bmcl.2013.05.007 | Cytochrome P450 3A4 | 1 |
| 23726034 | 10.1016/j.bmcl.2013.05.007 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 1 |
Data from ChEMBL 36 via Core Engine