Compound Detail
CHEMBL2178614
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Basic Information
| ChEMBL ID | CHEMBL2178614 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TVBMHSCAUHDXHV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
3
PK Parameters
5
Publications
0
Known Names
Molecular Properties
398.5
MW (Da)
2.66
ALogP
9
HBA
1
HBD
99.3
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase mTOR CHEMBL2842 | Ki | 7.68 | 7.68 | 21.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 52.0 | mL.min-1.kg-1 | Mus musculus |
| F | 46.0 | % | Mus musculus |
| T1/2 | 3.3 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase mTOR | Ki | = | 21.0 | nM | 7.68 | Inhibition of human recombinant mTOR (1360 to 2549 amino acids) assessed as redu... | 22946614 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22946614 | 10.1021/jm300867c | ADMET | 3 |
| 22946614 | 10.1021/jm300867c | Mus musculus | 3 |
| 22946614 | 10.1021/jm300867c | Nucleic Acid | 2 |
| 22946614 | 10.1021/jm300867c | Plasma | 1 |
| 22946614 | 10.1021/jm300867c | Serine/threonine-protein kinase mTOR | 1 |
Data from ChEMBL 36 via Core Engine