Compound Detail
CHEMBL5746514
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Basic Information
| ChEMBL ID | CHEMBL5746514 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GXPOETDGLYYIAQ-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
371.8
MW (Da)
1.99
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 9.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase 5 CHEMBL5285 | IC50 | 9.4 | 8.93 | 0.4 | 2 |
| Mitogen-activated protein kinase kinase kinase 6 CHEMBL1163123 | IC50 | 8.2 | 8.195 | 6.3 | 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 | = | 0.398 | nM | 9.4 | ASK1/2 Biochemical Assays (AlphaScreen Technology) : ASK1 and ASK2 biochemical a... | - |
| Mitogen-activated protein kinase kinase kinase 5 | IC50 | = | 3.47 | nM | 8.46 | ASK1/2 Biochemical Assays (IMAP Technology): IMAP technology provides a homogene... | - |
| Mitogen-activated protein kinase kinase kinase 6 | IC50 | = | 6.31 | nM | 8.2 | ASK1/2 Biochemical Assays (AlphaScreen Technology) : ASK1 and ASK2 biochemical a... | - |
| Mitogen-activated protein kinase kinase kinase 6 | IC50 | = | 6.46 | nM | 8.19 | ASK1/2 Biochemical Assays (IMAP Technology): IMAP technology provides a homogene... | - |
Data from ChEMBL 36 via Core Engine