Compound Detail
CHEMBL3944869
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CC(C)C[C@H](N)CC(=O)N1CCN(c2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)CC1
Basic Information
| ChEMBL ID | CHEMBL3944869 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WMOPTJOWLJZFQG-SFHVURJKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
543.6
MW (Da)
2.40
ALogP
10
HBA
1
HBD
118.5
PSA (Ų)
0.46
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130 | IC50 | 5.04 | 5.04 | 9100.0 | 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 | = | 9100.0 | nM | 5.04 | Inhibition of PI3Kdelta (unknown origin) expressed in Escherichia coli-infected ... | 27387421 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27387421 | 10.1016/j.ejmech.2016.06.010 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 1 |
| 27387421 | 10.1016/j.ejmech.2016.06.010 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform | 1 |
Data from ChEMBL 36 via Core Engine