Compound Detail
CHEMBL2146893
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Basic Information
| ChEMBL ID | CHEMBL2146893 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PIZSULWGRRPCLE-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
3
PK Parameters
5
Publications
0
Known Names
Molecular Properties
519.3
MW (Da)
3.64
ALogP
4
HBA
3
HBD
64.6
PSA (Ų)
0.51
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity mitogen-activated protein kinase kinase 1 CHEMBL3587 | IC50 | 8.74 | 8.74 | 1.8 | 1 |
| Dual specificity mitogen-activated protein kinase kinase; MEK1/2 CHEMBL2111289 | IC50 | 8.43 | 8.43 | 3.7 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 99.3 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 86.0 | % | Rattus norvegicus |
| T1/2 | 4.9 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity mitogen-activated protein kinase kinase 1 | IC50 | = | 1.8 | nM | 8.74 | Inhibition of MEK1-mediated ERK2 T202/Y204 phosphorylation using biotinylated MB... | 24900486 |
| Dual specificity mitogen-activated protein kinase kinase; MEK1/2 | IC50 | = | 3.7 | nM | 8.43 | Inhibition of MEK-mediated ERK T202/Y204 phosphorylation in human MDA-MB-231T ce... | 24900486 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900486 | 10.1021/ml300049d | Rattus norvegicus | 4 |
| 24900486 | 10.1021/ml300049d | Liver microsomes | 2 |
| 24900486 | 10.1021/ml300049d | Dual specificity mitogen-activated protein kinase kinase 1 | 1 |
| 24900486 | 10.1021/ml300049d | Dual specificity mitogen-activated protein kinase kinase; MEK1/2 | 1 |
| 24900486 | 10.1021/ml300049d | MDCK | 1 |
Data from ChEMBL 36 via Core Engine