Compound Detail
CHEMBL5812512
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Basic Information
| ChEMBL ID | CHEMBL5812512 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZLOBOPFIUGIVMK-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
385.9
MW (Da)
2.30
ALogP
6
HBA
3
HBD
112.8
PSA (Ų)
0.64
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase 5 CHEMBL5285 | IC50 | 8.7 | 8.375 | 2.0 | 2 |
| Mitogen-activated protein kinase kinase kinase 6 CHEMBL1163123 | IC50 | 7.8 | 7.8 | 15.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase 5 | IC50 | = | 2.0 | nM | 8.7 | ASK1/2 Biochemical Assays (AlphaScreen Technology) : ASK1 and ASK2 biochemical a... | - |
| Mitogen-activated protein kinase kinase kinase 5 | IC50 | = | 8.91 | nM | 8.05 | ASK1/2 Biochemical Assays (IMAP Technology): IMAP technology provides a homogene... | - |
| Mitogen-activated protein kinase kinase kinase 6 | IC50 | = | 15.8 | nM | 7.8 | ASK1/2 Biochemical Assays (AlphaScreen Technology) : ASK1 and ASK2 biochemical a... | - |
Data from ChEMBL 36 via Core Engine