Compound Detail
CHEMBL6036447
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Basic Information
| ChEMBL ID | CHEMBL6036447 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LUQKIXFXOFQGGI-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
369.4
MW (Da)
1.78
ALogP
6
HBA
3
HBD
112.8
PSA (Ų)
0.65
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase 5 CHEMBL5285 | IC50 | 8.72 | 8.48 | 1.9 | 2 |
| Mitogen-activated protein kinase kinase kinase 6 CHEMBL1163123 | IC50 | 7.96 | 7.835 | 11.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase 5 | IC50 | = | 1.91 | nM | 8.72 | ASK1/2 Biochemical Assays (AlphaScreen Technology) : ASK1 and ASK2 biochemical a... | - |
| Mitogen-activated protein kinase kinase kinase 5 | IC50 | = | 5.75 | nM | 8.24 | ASK1/2 Biochemical Assays (IMAP Technology): IMAP technology provides a homogene... | - |
| Mitogen-activated protein kinase kinase kinase 6 | IC50 | = | 11.0 | nM | 7.96 | ASK1/2 Biochemical Assays (IMAP Technology): IMAP technology provides a homogene... | - |
| Mitogen-activated protein kinase kinase kinase 6 | IC50 | = | 19.5 | nM | 7.71 | ASK1/2 Biochemical Assays (AlphaScreen Technology) : ASK1 and ASK2 biochemical a... | - |
Data from ChEMBL 36 via Core Engine