Compound Detail
CHEMBL4112587
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Basic Information
| ChEMBL ID | CHEMBL4112587 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JNQOAFHFWORJSO-LJQANCHMSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
438.5
MW (Da)
4.25
ALogP
6
HBA
2
HBD
85.4
PSA (Ų)
0.57
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 1 CHEMBL4040 | IC50 | 8.68 | 8.68 | 2.1 | 1 |
| Ribosomal protein S6 kinase alpha-1 CHEMBL2553 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 1 | IC50 | = | 2.1 | nM | 8.68 | Enzymatic Assay: Compounds were tested in an enzymatic assay using human ERK-2 (... | - |
| Ribosomal protein S6 kinase alpha-1 | IC50 | = | 5.96 | nM | 8.22 | Phosphorylation Assay: HepG2 cells were obtained from ATCC and grown in DMEM sup... | - |
Data from ChEMBL 36 via Core Engine