Compound Detail
CHEMBL4092381
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Basic Information
| ChEMBL ID | CHEMBL4092381 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NSWIXDKIQHYGRE-VIFPVBQESA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
407.8
MW (Da)
2.18
ALogP
9
HBA
3
HBD
151.2
PSA (Ų)
0.47
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| PI3-kinase p110-delta/p85-alpha CHEMBL2111432 | IC50 | 8.49 | 8.49 | 3.2 | 1 |
| PI3K p110 beta/p85 alpha CHEMBL3038510 | IC50 | 7.85 | 7.85 | 14.0 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform CHEMBL3267 | IC50 | 6.0 | 6.0 | 990.0 | 1 |
| PI3-kinase p110-alpha/p85-alpha CHEMBL2111367 | IC50 | 5.46 | 5.46 | 3490.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| PI3-kinase p110-delta/p85-alpha | IC50 | = | 3.2 | nM | 8.49 | Inhibition of human full length PI3K p110delta/p85 alpha using PIP2/ATP as subst... | 28106991 |
| PI3K p110 beta/p85 alpha | IC50 | = | 14.0 | nM | 7.85 | Inhibition of N-terminal His6-tagged recombinant full-length human PI3K p110beta... | 28106991 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | IC50 | = | 990.0 | nM | 6.0 | Inhibition of human full length PI3Kgamma using PIP2/ATP as substrate after 30 m... | 28106991 |
| PI3-kinase p110-alpha/p85-alpha | IC50 | = | 3490.0 | nM | 5.46 | Inhibition of human full length PI3K p110alpha/p85 alpha using PIP2/ATP as subst... | 28106991 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28106991 | 10.1021/acs.jmedchem.6b01821 | Unchecked | 2 |
| 28106991 | 10.1021/acs.jmedchem.6b01821 | PI3-kinase p110-alpha/p85-alpha | 1 |
| 28106991 | 10.1021/acs.jmedchem.6b01821 | PI3K p110 beta/p85 alpha | 1 |
| 28106991 | 10.1021/acs.jmedchem.6b01821 | PI3-kinase p110-delta/p85-alpha | 1 |
| 28106991 | 10.1021/acs.jmedchem.6b01821 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 1 |
Data from ChEMBL 36 via Core Engine