Compound Detail
CHEMBL1090043
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL1090043 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UZKSZCHJTSIAEZ-UNOMPAQXSA-N |
3
Targets
6
Activities
1
Assay Types
1
PK Parameters
9
Publications
0
Known Names
Molecular Properties
368.4
MW (Da)
4.56
ALogP
5
HBA
1
HBD
64.3
PSA (Ų)
0.53
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase mTOR CHEMBL2842 | IC50 | 8.46 | 8.46 | 3.5 | 2 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL4005 | IC50 | 7.05 | 7.05 | 89.0 | 2 |
| LNCaP CHEMBL612518 | IC50 | 6.7 | 6.7 | 200.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.3667 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase mTOR | IC50 | = | 3.5 | nM | 8.46 | Inhibition of mTOR | 20188551 |
| Serine/threonine-protein kinase mTOR | IC50 | = | 3.45 | nM | 8.46 | Inhibition of mTOR | 20188552 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | IC50 | = | 89.0 | nM | 7.05 | Inhibition of PI3Kalpha | 20188551 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | IC50 | = | 89.0 | nM | 7.05 | Inhibition of PI3Kalpha | 20188552 |
| LNCaP | IC50 | = | 200.0 | nM | 6.7 | Antiproliferative activity against human LNCAP cells | 20188551 |
| LNCaP | IC50 | = | 200.0 | nM | 6.7 | Cytotoxicity against human LNCAP cells | 20188552 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20188551 | 10.1016/j.bmcl.2010.02.012 | Serine/threonine-protein kinase mTOR | 1 |
| 20188551 | 10.1016/j.bmcl.2010.02.012 | Unchecked | 1 |
| 20188551 | 10.1016/j.bmcl.2010.02.012 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 1 |
| 20188551 | 10.1016/j.bmcl.2010.02.012 | LNCaP | 1 |
| 20188552 | 10.1016/j.bmcl.2010.01.135 | Serine/threonine-protein kinase mTOR | 1 |
| 20188552 | 10.1016/j.bmcl.2010.01.135 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 1 |
| 20188552 | 10.1016/j.bmcl.2010.01.135 | Unchecked | 1 |
| 20188552 | 10.1016/j.bmcl.2010.01.135 | LNCaP | 1 |
| 20188552 | 10.1016/j.bmcl.2010.01.135 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine