Compound Detail
CHEMBL5172952
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Basic Information
| ChEMBL ID | CHEMBL5172952 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BTHFZZGILQJRRF-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
477.3
MW (Da)
3.14
ALogP
6
HBA
3
HBD
103.0
PSA (Ų)
0.37
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 7 CHEMBL5332 | IC50 | 8.1 | 7.66 | 8.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 5.0 | mL.min-1.kg-1 | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 7 | IC50 | = | 8.0 | nM | 8.1 | Inhibition of ERK5 (unknown origin) using K-5FAM-LVEPLTPSGEAPNQ-COOH as substrat... | 35468293 |
| Mitogen-activated protein kinase 7 | IC50 | = | 60.0 | nM | 7.22 | Inhibition of ERK5 phosphorylation in human HeLa cells incubated for 1 hr by Wes... | 35468293 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35468293 | 10.1021/acs.jmedchem.1c01756 | ADMET | 3 |
| 35468293 | 10.1021/acs.jmedchem.1c01756 | Mitogen-activated protein kinase 7 | 2 |
Data from ChEMBL 36 via Core Engine