Compound Detail
CHEMBL4530540
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COc1ncc(-c2ccc3ncnc(N[C@H]4CCCN(C(=O)C(F)(F)F)C4)c3c2)cc1[N+](=O)[O-]
Basic Information
| ChEMBL ID | CHEMBL4530540 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MHTJATLSIWJSPC-AWEZNQCLSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
476.4
MW (Da)
3.57
ALogP
8
HBA
1
HBD
123.4
PSA (Ų)
0.44
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130 | IC50 | 7.57 | 7.57 | 27.0 | 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 delta isoform | IC50 | = | 27.0 | nM | 7.57 | Inhibition of PI3K delta (unknown origin) using phosphatidyl inositol as substra... | 31434616 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31434616 | 10.1016/j.bmc.2019.07.051 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 1 |
| 31434616 | 10.1016/j.bmc.2019.07.051 | SU-DHL-6 | 1 |
Data from ChEMBL 36 via Core Engine