Compound Detail
CHEMBL3608462
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Basic Information
| ChEMBL ID | CHEMBL3608462 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QGLYANQKQKONGT-HSZRJFAPSA-N |
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
3
Publications
0
Known Names
Molecular Properties
447.5
MW (Da)
3.12
ALogP
7
HBA
2
HBD
92.5
PSA (Ų)
0.60
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 10.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 1 CHEMBL4040 | IC50 | 10.48 | 10.48 | 0.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 79.0 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 10.0 | % | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 1 | IC50 | = | 0.033 | nM | 10.48 | Inhibition of ERK2 (unknown origin) | 26259804 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26259804 | 10.1016/j.bmcl.2015.07.091 | Rattus norvegicus | 6 |
| 26259804 | 10.1016/j.bmcl.2015.07.091 | ADMET | 2 |
| 26259804 | 10.1016/j.bmcl.2015.07.091 | Mitogen-activated protein kinase 1 | 1 |
Data from ChEMBL 36 via Core Engine