Compound Detail
CHEMBL199395
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Basic Information
| ChEMBL ID | CHEMBL199395 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WHPQRPGHYADIAQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
367.4
MW (Da)
3.58
ALogP
7
HBA
1
HBD
86.9
PSA (Ų)
0.49
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 1 CHEMBL4040 | IC50 | 6.25 | 6.25 | 560.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 1 | IC50 | = | 560.0 | nM | 6.25 | Inhibitory activity against human ERK2 | 16242327 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16242327 | 10.1016/j.bmcl.2005.09.055 | Mitogen-activated protein kinase 1 | 1 |
Data from ChEMBL 36 via Core Engine