Compound Detail
CHEMBL3298307
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Basic Information
| ChEMBL ID | CHEMBL3298307 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HRHBGKRPPKDNHX-LJQANCHMSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
433.9
MW (Da)
3.42
ALogP
5
HBA
3
HBD
90.4
PSA (Ų)
0.67
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 1 CHEMBL4040 | IC50 | 8.4 | 7.44 | 4.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 1 | IC50 | = | 4.0 | nM | 8.4 | Inhibition of human recombinant N-terminal 6-His-tagged ERK2 expressed in Escher... | 24813737 |
| Mitogen-activated protein kinase 1 | IC50 | = | 330.0 | nM | 6.48 | Inhibition of ERK2 in human HepG2 cells assessed as P90RSK phosphorylation at Se... | 24813737 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24813737 | 10.1016/j.bmcl.2014.04.068 | Mitogen-activated protein kinase 1 | 2 |
Data from ChEMBL 36 via Core Engine