Compound Detail
CHEMBL3769854
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Basic Information
| ChEMBL ID | CHEMBL3769854 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HCXJXQHVHZPQRZ-INIZCTEOSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
396.4
MW (Da)
2.42
ALogP
8
HBA
1
HBD
110.1
PSA (Ų)
0.69
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.7
Ki 1 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL4005 | Ki | 9.3 | 9.3 | 0.5 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 6.7 | 6.12 | 200.0 | 2 |
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 | Ki | = | 0.5 | nM | 9.3 | Inhibition of recombinant PI3K alpha (unknown origin) using PIP2 as substrate by... | 26741947 |
| NON-PROTEIN TARGET | EC50 | = | 200.0 | nM | 6.7 | Antiproliferative activity against human MCF7-neo/Her2 cells after 3 days by lum... | 26741947 |
| NON-PROTEIN TARGET | EC50 | = | 2900.0 | nM | 5.54 | Antiproliferative activity against human PC3 cells after 4 days by luminescence ... | 26741947 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26741947 | 10.1021/acs.jmedchem.5b01483 | Unchecked | 3 |
| 26741947 | 10.1021/acs.jmedchem.5b01483 | NON-PROTEIN TARGET | 2 |
| 26741947 | 10.1021/acs.jmedchem.5b01483 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 1 |
Data from ChEMBL 36 via Core Engine