Compound Detail
CHEMBL4517404
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Basic Information
| ChEMBL ID | CHEMBL4517404 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PZFUMOISBVVUGC-CVEARBPZSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
424.4
MW (Da)
1.95
ALogP
7
HBA
1
HBD
70.8
PSA (Ų)
0.81
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 3-kinase catalytic subunit type 3 CHEMBL1075165 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL4005 | IC50 | 8.22 | 8.22 | 6.0 | 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 | = | 2.0 | nM | 8.7 | Inhibition of Vps34 (unknown origin) | 29211480 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | IC50 | = | 6.0 | nM | 8.22 | Inhibition of PI3K p110alpha (unknown origin) | 29211480 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29211480 | 10.1021/acs.jmedchem.7b01019 | Phosphatidylinositol 3-kinase catalytic subunit type 3 | 1 |
| 29211480 | 10.1021/acs.jmedchem.7b01019 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 1 |
Data from ChEMBL 36 via Core Engine