Compound Detail
CHEMBL4113272
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Basic Information
| ChEMBL ID | CHEMBL4113272 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RDDDPIGPOLUCED-OAQYLSRUSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
443.9
MW (Da)
4.08
ALogP
5
HBA
3
HBD
83.5
PSA (Ų)
0.53
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 1 CHEMBL4040 | IC50 | 8.55 | 8.55 | 2.8 | 1 |
| Ribosomal protein S6 kinase alpha-1 CHEMBL2553 | IC50 | 7.83 | 7.83 | 14.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 1 | IC50 | = | 2.8 | nM | 8.55 | Enzymatic Assay: Compounds were tested in an enzymatic assay using human ERK-2 (... | - |
| Ribosomal protein S6 kinase alpha-1 | IC50 | = | 14.8 | nM | 7.83 | Phosphorylation Assay: HepG2 cells were obtained from ATCC and grown in DMEM sup... | - |
Data from ChEMBL 36 via Core Engine