Compound Detail
CHEMBL3649016
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Basic Information
| ChEMBL ID | CHEMBL3649016 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JWSHRTLBVPHIIM-SHTZXODSSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
408.5
MW (Da)
2.60
ALogP
8
HBA
2
HBD
112.5
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL4005 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
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 | = | 4.0 | nM | 8.4 | Biochemical Assay: Compounds of the present invention were evaluated for potency... | - |
Data from ChEMBL 36 via Core Engine