Compound Detail
CHEMBL4095752
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CC(=O)N1C[C@@H](C)N(c2cc(-c3cc(Cl)c4c(N)ncnn34)ccc2C#N)C(=O)C1(C)C
Basic Information
| ChEMBL ID | CHEMBL4095752 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LDDBFWKVTAJCPF-GFCCVEGCSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
451.9
MW (Da)
2.87
ALogP
7
HBA
1
HBD
120.6
PSA (Ų)
0.64
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130 | IC50 | 8.89 | 8.035 | 1.3 | 2 |
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 | = | 1.3 | nM | 8.89 | Inhibition of PI3Kdelta (unknown origin) using PIP2:PS as substrate after 3 hrs ... | 28541707 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | IC50 | = | 66.0 | nM | 7.18 | Inhibition of PI3Kdelta in human whole blood assessed as reduction in anti-IgD-m... | 28541707 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28541707 | 10.1021/acs.jmedchem.7b00618 | Liver | 3 |
| 28541707 | 10.1021/acs.jmedchem.7b00618 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 2 |
| 28541707 | 10.1021/acs.jmedchem.7b00618 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine