Compound Detail
CHEMBL5904394
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COCCOc1ccc([C@@H]2OC(=O)N(c3cc(-c4cnc(N)nc4C(F)(F)F)nc(N4CCOCC4)n3)[C@H]2CO)cc1
Basic Information
| ChEMBL ID | CHEMBL5904394 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BAQGYVIJTGMSNW-FPOVZHCZSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
591.5
MW (Da)
2.46
ALogP
12
HBA
2
HBD
158.3
PSA (Ų)
0.35
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.4 | 7.795 | 4.0 | 2 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform CHEMBL3145 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL4005 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL5169092 | IC50 | 7.2 | 7.2 | 63.0 | 1 |
| Serine/threonine-protein kinase mTOR CHEMBL2842 | IC50 | 6.12 | 6.12 | 750.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine