Compound Detail
CHEMBL4450504
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Basic Information
| ChEMBL ID | CHEMBL4450504 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YDNOHCOYQVZOMC-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
506.6
MW (Da)
4.34
ALogP
7
HBA
1
HBD
60.5
PSA (Ų)
0.42
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130 | IC50 | 7.82 | 7.82 | 15.0 | 1 |
| PI3K p110 beta/p85 alpha CHEMBL3038510 | IC50 | 5.97 | 5.97 | 1078.0 | 1 |
| PI3-kinase p110-alpha/p85-alpha CHEMBL2111367 | IC50 | 5.64 | 5.64 | 2299.0 | 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 | = | 15.0 | nM | 7.82 | Inhibition of PI3Kdelta (unknown origin) | 30530193 |
| PI3K p110 beta/p85 alpha | IC50 | = | 1078.0 | nM | 5.97 | Inhibition of human full length recombinant N-terminal His-tagged PI3Kbeta/p85al... | 30530193 |
| PI3-kinase p110-alpha/p85-alpha | IC50 | = | 2299.0 | nM | 5.64 | Inhibition of human N-terminal His-tagged PI3Kalpha/p85alpha expressed in Spodop... | 30530193 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30530193 | 10.1016/j.ejmech.2018.11.072 | Unchecked | 3 |
| 30530193 | 10.1016/j.ejmech.2018.11.072 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 1 |
| 30530193 | 10.1016/j.ejmech.2018.11.072 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 1 |
| 30530193 | 10.1016/j.ejmech.2018.11.072 | PI3K p110 beta/p85 alpha | 1 |
| 30530193 | 10.1016/j.ejmech.2018.11.072 | PI3-kinase p110-alpha/p85-alpha | 1 |
Data from ChEMBL 36 via Core Engine