Compound Detail
CHEMBL4761503
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Cc1nn(C)cc1-c1c(N)nn2ccc(-c3cc4c(c(C(F)(F)F)c3)C(=O)N([C@@H](C)C3CC3)C4)nc12
Basic Information
| ChEMBL ID | CHEMBL4761503 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KJKFZLSFFHPRNL-ZDUSSCGKSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
495.5
MW (Da)
4.46
ALogP
7
HBA
1
HBD
94.3
PSA (Ų)
0.45
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform CHEMBL3267 | IC50 | 8.1 | 7.215 | 8.0 | 2 |
| PI3-kinase p110-delta/p85-alpha CHEMBL2111432 | IC50 | 5.34 | 5.34 | 4550.0 | 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 gamma isoform | IC50 | = | 8.0 | nM | 8.1 | Inhibition of recombinant N-terminal His-tagged full-length human PI3K p120gamma... | 32865410 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | IC50 | = | 470.0 | nM | 6.33 | Inhibition of PI3Kgamma in human THP-1 cells assessed as reduction in Akt phosph... | 32865410 |
| PI3-kinase p110-delta/p85-alpha | IC50 | = | 4550.0 | nM | 5.34 | Inhibition of recombinant N-terminal GST-tagged full-length human PI3K p110delta... | 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