Compound Detail
CHEMBL5192406
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Basic Information
| ChEMBL ID | CHEMBL5192406 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PZDXZPWVGCQPBG-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
425.4
MW (Da)
3.37
ALogP
7
HBA
1
HBD
95.9
PSA (Ų)
0.54
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 3-kinase catalytic subunit type 3 CHEMBL1075165 | IC50 | 8.77 | 8.77 | 1.7 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL4005 | IC50 | 8.49 | 8.49 | 3.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphatidylinositol 3-kinase catalytic subunit type 3 | IC50 | = | 1.7 | nM | 8.77 | Inhibition of human wild type N-terminal GST tagged VPS34 (1 to 887 end) express... | 34779204 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | IC50 | = | 3.2 | nM | 8.49 | Inhibition of PI3Kalpha (unknown origin) preincubated with compound for 20 mins ... | 34779204 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34779204 | 10.1021/acs.jmedchem.1c01180 | Phosphatidylinositol 3-kinase catalytic subunit type 3 | 1 |
| 34779204 | 10.1021/acs.jmedchem.1c01180 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 1 |
Data from ChEMBL 36 via Core Engine