Compound Detail
CHEMBL1091070
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Basic Information
| ChEMBL ID | CHEMBL1091070 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IBKQDXXHRSSNHV-SOFYXZRVSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
307.3
MW (Da)
3.21
ALogP
5
HBA
2
HBD
71.7
PSA (Ų)
0.68
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase mTOR CHEMBL2842 | IC50 | 6.1 | 6.1 | 800.0 | 2 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL4005 | IC50 | 5.96 | 5.96 | 1106.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 5.22 | 5.22 | 6000.0 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform CHEMBL3267 | IC50 | 5.16 | 5.16 | 6949.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase mTOR | IC50 | = | 800.0 | nM | 6.1 | Inhibition of mTOR | 20188552 |
| Serine/threonine-protein kinase mTOR | IC50 | = | 800.0 | nM | 6.1 | Inhibition of mTOR | 20303263 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | IC50 | = | 1106.0 | nM | 5.96 | Inhibition of PI3Kalpha | 20188552 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | IC50 | = | 1106.0 | nM | 5.96 | Inhibition of PI3Kalpha | 20303263 |
| Unchecked | IC50 | = | 6000.0 | nM | 5.22 | Inhibition of HCV J4 genotype 1b NS5Bdelta21 polymerase using homopolymeric RNA ... | 24835816 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | IC50 | = | 6949.0 | nM | 5.16 | Inhibition of PI3Kgamma | 20303263 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24835816 | 10.1016/j.ejmech.2014.04.005 | Unchecked | 2 |
| 38109811 | 10.1016/j.bmc.2023.117559 | Unchecked | 2 |
| 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 |
| 20303263 | 10.1016/j.bmcl.2010.02.082 | Serine/threonine-protein kinase mTOR | 1 |
| 20303263 | 10.1016/j.bmcl.2010.02.082 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 1 |
| 20303263 | 10.1016/j.bmcl.2010.02.082 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 1 |
| 20303263 | 10.1016/j.bmcl.2010.02.082 | No relevant target | 1 |
| 38109811 | 10.1016/j.bmc.2023.117559 | Metallo-beta-lactamase type 2 | 1 |
Data from ChEMBL 36 via Core Engine