Compound Detail
CHEMBL4782224
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Cc1cc(-c2ccc3nc(N)c(-c4cnn(C)c4)n3n2)cc2c1C(=O)N([C@@H](C)C1CC1)C2
Basic Information
| ChEMBL ID | CHEMBL4782224 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BWDHIBNDWRLHPL-AWEZNQCLSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
427.5
MW (Da)
3.44
ALogP
7
HBA
1
HBD
94.3
PSA (Ų)
0.54
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform CHEMBL3267 | IC50 | 7.77 | 7.04 | 17.0 | 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 gamma isoform | IC50 | = | 17.0 | nM | 7.77 | Inhibition of recombinant N-terminal His-tagged full-length human PI3K p120gamma... | 32865410 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | IC50 | = | 490.0 | nM | 6.31 | Inhibition of PI3Kgamma in human THP-1 cells assessed as reduction in Akt phosph... | 32865410 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32865410 | 10.1021/acs.jmedchem.0c01203 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2 |
| 32865410 | 10.1021/acs.jmedchem.0c01203 | Unchecked | 2 |
| 32865410 | 10.1021/acs.jmedchem.0c01203 | PI3-kinase p110-alpha/p85-alpha | 1 |
| 32865410 | 10.1021/acs.jmedchem.0c01203 | PI3K p110 beta/p85 alpha | 1 |
| 32865410 | 10.1021/acs.jmedchem.0c01203 | PI3-kinase p110-delta/p85-alpha | 1 |
Data from ChEMBL 36 via Core Engine