Compound Detail
CHEMBL4099904
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Basic Information
| ChEMBL ID | CHEMBL4099904 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SJMFIMVIJACUEH-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
412.4
MW (Da)
1.33
ALogP
9
HBA
1
HBD
96.7
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas.
Ki 1 meas. best 5.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| PI3-kinase p110-alpha/p85-alpha CHEMBL2111367 | Ki | 5.64 | 5.64 | 2299.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| PI3-kinase p110-alpha/p85-alpha | Ki | = | 2299.0 | nM | 5.64 | Inhibition of human N-terminal His6-tagged PI3K p110alpha/p85alpha expressed in ... | 28829592 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28829592 | 10.1021/acs.jmedchem.7b00930 | Serine/threonine-protein kinase mTOR | 2 |
| 28829592 | 10.1021/acs.jmedchem.7b00930 | SK-OV-3 | 1 |
| 28829592 | 10.1021/acs.jmedchem.7b00930 | A2058 | 1 |
| 28829592 | 10.1021/acs.jmedchem.7b00930 | PI3-kinase p110-alpha/p85-alpha | 1 |
| 28829592 | 10.1021/acs.jmedchem.7b00930 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine