Compound Detail
CHEMBL4084177
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Basic Information
| ChEMBL ID | CHEMBL4084177 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OYMZHKCEBHNHEO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
289.3
MW (Da)
0.63
ALogP
6
HBA
1
HBD
66.5
PSA (Ų)
0.87
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| PI3-kinase p110-alpha/p85-alpha CHEMBL2111367 | IC50 | 5.21 | 5.21 | 6184.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| PI3-kinase p110-alpha/p85-alpha | IC50 | = | 6184.0 | nM | 5.21 | Inhibition of full length recombinant human N-terminal His-tagged PI3K p110alpha... | 28409639 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28409639 | 10.1021/acs.jmedchem.7b00357 | PI3-kinase p110-alpha/p85-alpha | 1 |
| 28409639 | 10.1021/acs.jmedchem.7b00357 | Serine/threonine-protein kinase mTOR | 1 |
Data from ChEMBL 36 via Core Engine