Compound Detail
CHEMBL4745140
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Basic Information
| ChEMBL ID | CHEMBL4745140 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XSLJTXQUSXGEKD-JTQLQIEISA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
409.4
MW (Da)
3.84
ALogP
7
HBA
2
HBD
104.9
PSA (Ų)
0.53
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| PI3-kinase p110-delta/p85-alpha CHEMBL2111432 | IC50 | 7.64 | 7.64 | 22.8 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130 | IC50 | 7.44 | 7.44 | 36.0 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform CHEMBL3267 | IC50 | 5.45 | 5.45 | 3550.0 | 1 |
| PI3K p110 beta/p85 alpha CHEMBL3038510 | IC50 | 4.85 | 4.85 | 14100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| PI3-kinase p110-delta/p85-alpha | IC50 | = | 22.8 | nM | 7.64 | Inhibition of recombinant full length N-terminal polyHis-tagged PI3K p110delta/p... | 26652588 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | IC50 | = | 36.0 | nM | 7.44 | Inhibition of PI3Kdelta in antiIgM/CD40L-induced human B cells assessed as reduc... | 26652588 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | IC50 | = | 3550.0 | nM | 5.45 | Inhibition of recombinant full length N-terminal polyHis-tagged PI3Kgamma (114 t... | 26652588 |
| PI3K p110 beta/p85 alpha | IC50 | = | 14100.0 | nM | 4.85 | Inhibition of recombinant full length N-terminal polyHis-tagged PI3K p110beta/p8... | 26652588 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26652588 | 10.1021/acs.jmedchem.5b01651 | PI3-kinase p110-alpha/p85-alpha | 1 |
| 26652588 | 10.1021/acs.jmedchem.5b01651 | PI3K p110 beta/p85 alpha | 1 |
| 26652588 | 10.1021/acs.jmedchem.5b01651 | PI3-kinase p110-delta/p85-alpha | 1 |
| 26652588 | 10.1021/acs.jmedchem.5b01651 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 1 |
| 26652588 | 10.1021/acs.jmedchem.5b01651 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 1 |
Data from ChEMBL 36 via Core Engine