Compound Detail
CHEMBL99039
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Basic Information
| ChEMBL ID | CHEMBL99039 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RHDNKXYQUZIPEI-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
349.5
MW (Da)
3.44
ALogP
5
HBA
2
HBD
80.0
PSA (Ų)
0.78
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine protein phosphatase PP2B-alpha catalytic subunit CHEMBL5278 | IC50 | 4.3 | 4.3 | 50000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.3 | 4.3 | 50000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 50000.0 | nM | 4.3 | Inhibition of PP2A | 16509582 |
| Serine/threonine protein phosphatase PP2B-alpha catalytic subunit | IC50 | = | 50000.0 | nM | 4.3 | Inhibition of PP2B | 16509582 |
| Unchecked | IC50 | = | 50000.0 | nM | 4.3 | Inhibition of PP1 | 16509582 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16509582 | 10.1021/jm051033y | Unchecked | 2 |
| 1895302 | 10.1021/jm00113a022 | Dihydrofolate reductase | 1 |
| 16509582 | 10.1021/jm051033y | Serine/threonine protein phosphatase PP2B-alpha catalytic subunit | 1 |
Data from ChEMBL 36 via Core Engine