Compound Detail
CHEMBL4451945
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Basic Information
| ChEMBL ID | CHEMBL4451945 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KFTLBCMVGMKBHX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
437.5
MW (Da)
3.23
ALogP
7
HBA
2
HBD
116.2
PSA (Ų)
0.51
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| PI3-kinase p110-delta/p85-alpha CHEMBL2111432 | IC50 | 5.7 | 5.7 | 1999.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| PI3-kinase p110-delta/p85-alpha | IC50 | = | 1999.0 | nM | 5.7 | Inhibition of His-tagged recombinant human PI3K p110delta/p85alpha using lipid s... | 30878826 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30878826 | 10.1016/j.ejmech.2019.03.005 | PI3-kinase p110-delta/p85-alpha | 1 |
Data from ChEMBL 36 via Core Engine