Compound Detail
CHEMBL1095281
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Basic Information
| ChEMBL ID | CHEMBL1095281 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FGNWNPNHRQNBPI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
428.5
MW (Da)
3.30
ALogP
7
HBA
0
HBD
76.4
PSA (Ų)
0.50
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase mTOR CHEMBL2842 | IC50 | 6.32 | 6.32 | 480.0 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL4005 | IC50 | 6.1 | 6.1 | 792.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase mTOR | IC50 | = | 480.0 | nM | 6.32 | Inhibition of human mTOR (1360-2549 amino acids) expressed in HEK293 cells | 19894727 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | IC50 | = | 792.0 | nM | 6.1 | Inhibition of PI3Kalpha by DELFIA assay | 19894727 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19894727 | 10.1021/jm9013828 | Unchecked | 1 |
| 19894727 | 10.1021/jm9013828 | Serine/threonine-protein kinase mTOR | 1 |
| 19894727 | 10.1021/jm9013828 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 1 |
Data from ChEMBL 36 via Core Engine