Compound Detail
CHEMBL2387087
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Basic Information
| ChEMBL ID | CHEMBL2387087 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SRVFZFLOOADICX-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
1
PK Parameters
5
Publications
0
Known Names
Molecular Properties
445.4
MW (Da)
2.62
ALogP
9
HBA
1
HBD
95.8
PSA (Ų)
0.51
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL4005 | IC50 | 8.54 | 8.54 | 2.9 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 7.18 | 7.18 | 66.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 28.0 | mL.min-1.kg-1 | Mus musculus |
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 | IC50 | = | 2.9 | nM | 8.54 | Inhibition of PI3Kalpha in human MCF7-neo/Her2 cells assessed as reduction of AK... | 23662903 |
| NON-PROTEIN TARGET | IC50 | = | 66.0 | nM | 7.18 | Cytotoxicity against human MCF7-neo/Her2 cells after 3 to 4 days by CellTitre-Gl... | 23662903 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23662903 | 10.1021/jm4003632 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 2 |
| 23662903 | 10.1021/jm4003632 | No relevant target | 1 |
| 23662903 | 10.1021/jm4003632 | Liver | 1 |
| 23662903 | 10.1021/jm4003632 | NON-PROTEIN TARGET | 1 |
| 23662903 | 10.1021/jm4003632 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine