Compound Detail
CHEMBL3648944
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Cc1nc(N)nc2c1cc(-c1cnc3[nH]ccc3c1)c(=O)n2[C@@H]1CC[C@@H](O)C1
Basic Information
| ChEMBL ID | CHEMBL3648944 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IHUZRDGAFZZJDL-ZIAGYGMSSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
376.4
MW (Da)
2.31
ALogP
7
HBA
3
HBD
122.7
PSA (Ų)
0.49
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL4005 | IC50 | 8.92 | 8.92 | 1.2 | 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 | = | 1.2 | nM | 8.92 | Biochemical Assay: Compounds of the present invention were evaluated for potency... | - |
Data from ChEMBL 36 via Core Engine