Compound Detail
CHEMBL3590112
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Basic Information
| ChEMBL ID | CHEMBL3590112 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IYULUKZVVYXBLY-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
326.4
MW (Da)
0.78
ALogP
6
HBA
1
HBD
84.4
PSA (Ų)
0.88
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 1 CHEMBL4040 | IC50 | 5.05 | 5.025 | 9000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 1 | IC50 | = | 9000.0 | nM | 5.05 | Inhibition of MEK U911-activated ERK2 (unknown origin) using Erktide as substrat... | 25977981 |
| Mitogen-activated protein kinase 1 | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of ERK2 in human A375 cells harboring B-RAF V600E mutant assessed as ... | 25977981 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25977981 | 10.1021/acs.jmedchem.5b00466 | Mitogen-activated protein kinase 1 | 3 |
| 25977981 | 10.1021/acs.jmedchem.5b00466 | Mitogen-activated protein kinase; ERK1/ERK2 | 1 |
Data from ChEMBL 36 via Core Engine