Compound Detail
CHEMBL5824088
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
C[C@@H]1Cn2c(-c3ccc4oc(N)nc4c3)nc3cc(N[C@H](C(N)=O)C4CC4)cc(c32)O1
Basic Information
| ChEMBL ID | CHEMBL5824088 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JVYSYFADKMIMRY-MGNBDDOMSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
418.5
MW (Da)
2.88
ALogP
8
HBA
3
HBD
134.2
PSA (Ų)
0.45
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 10.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL4005 | Ki | 10.35 | 10.35 | 0.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 10.35 | 10.35 | 0.0 | 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 | Ki | = | 0.045 | nM | 10.35 | p110alpha (alpha) PI3K Binding Assay: PI3K Binding assays are intended for deter... | - |
| Unchecked | Ki | = | 0.045 | nM | 10.35 | TBD: TBD | - |
Data from ChEMBL 36 via Core Engine