Compound Detail
CHEMBL1190965
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Basic Information
| ChEMBL ID | CHEMBL1190965 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CCCHXFXRXKOQKH-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
1
PK Parameters
4
Publications
0
Known Names
Molecular Properties
348.4
MW (Da)
2.98
ALogP
7
HBA
1
HBD
84.5
PSA (Ų)
0.60
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase mTOR CHEMBL2842 | IC50 | 5.75 | 5.75 | 1800.0 | 1 |
| PI3-kinase p110-alpha/p85-alpha CHEMBL2111367 | IC50 | 5.06 | 5.06 | 8800.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.035 | 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 | = | 1800.0 | nM | 5.75 | Inhibition of human mTOR using 4EBP1 as substrate after 120 mins by [gamma-33P]-... | 33214824 |
| PI3-kinase p110-alpha/p85-alpha | IC50 | = | 8800.0 | nM | 5.06 | Inhibition of human PI3K p110alpha/p85alpha using PIP2 as substrate incubated fo... | 33214824 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33214824 | 10.1021/acsmedchemlett.0c00289 | PI3-kinase p110-alpha/p85-alpha | 2 |
| 33214824 | 10.1021/acsmedchemlett.0c00289 | Serine/threonine-protein kinase mTOR | 2 |
| 33214824 | 10.1021/acsmedchemlett.0c00289 | No relevant target | 1 |
| 33214824 | 10.1021/acsmedchemlett.0c00289 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine