Compound Detail
CHEMBL4533939
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COc1ncc(-c2ccc3ncnc(N[C@H]4CCCN(C(=O)C5CCN(C)CC5)C4)c3c2)cc1C#N
Basic Information
| ChEMBL ID | CHEMBL4533939 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JHVDYWKIDUVZFD-QFIPXVFZSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
485.6
MW (Da)
3.32
ALogP
8
HBA
1
HBD
107.3
PSA (Ų)
0.59
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130 | IC50 | 8.03 | 8.03 | 9.4 | 1 |
| SU-DHL-6 CHEMBL4296496 | IC50 | 6.38 | 6.38 | 420.0 | 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 | = | 9.4 | nM | 8.03 | Inhibition of PI3K delta (unknown origin) using phosphatidyl inositol as substra... | 31434616 |
| SU-DHL-6 | IC50 | = | 420.0 | nM | 6.38 | Antiproliferative activity against human SUDHL6 cells by MTT assay | 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