Compound Detail
CHEMBL234890
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Basic Information
| ChEMBL ID | CHEMBL234890 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IBQHEUNEKDNNRF-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
445.2
MW (Da)
1.98
ALogP
5
HBA
3
HBD
83.4
PSA (Ų)
0.47
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity mitogen-activated protein kinase kinase; MEK1/2 CHEMBL2111289 | IC50 | 7.21 | 7.115 | 61.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity mitogen-activated protein kinase kinase; MEK1/2 | IC50 | = | 61.0 | nM | 7.21 | Inhibition of MEK assessed as inhibition of ERK phosphorylation by Raf-MEK-ERK c... | 17880056 |
| Dual specificity mitogen-activated protein kinase kinase; MEK1/2 | IC50 | = | 95.0 | nM | 7.02 | Inhibition of MEK in mouse colon 26 carcinoma cells assessed as inhibition of ER... | 17880056 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17880056 | 10.1021/jm0704548 | Dual specificity mitogen-activated protein kinase kinase; MEK1/2 | 2 |
| 17880056 | 10.1021/jm0704548 | No relevant target | 1 |
| 17880056 | 10.1021/jm0704548 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine