Compound Detail
CHEMBL3644817
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Basic Information
| ChEMBL ID | CHEMBL3644817 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YDXGQTJHWQBUHO-SNVBAGLBSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
502.2
MW (Da)
0.36
ALogP
9
HBA
3
HBD
118.6
PSA (Ų)
0.42
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity mitogen-activated protein kinase kinase 1 CHEMBL3587 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity mitogen-activated protein kinase kinase 1 | IC50 | = | 10.0 | nM | 8.0 | Enzyme Assay: The inhibitory properties of compounds relative to MEK1 or MEK2 ma... | - |
| Unchecked | IC50 | = | 10.0 | nM | 8.0 | Enzyme Assay: The inhibitory properties of compounds relative to MEK1 or MEK2 ma... | - |
Data from ChEMBL 36 via Core Engine