Compound Detail
CHEMBL3731242
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Basic Information
| ChEMBL ID | CHEMBL3731242 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PYZKVZMEYJUFFH-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
454.4
MW (Da)
2.94
ALogP
8
HBA
1
HBD
89.6
PSA (Ų)
0.69
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase 12 CHEMBL1908389 | Ki | 8.78 | 8.585 | 1.6 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase 12 | Ki | = | 1.65 | nM | 8.78 | Inhibition of N-terminally GST-tagged human DLK catalytic domain (1 to 520 amino... | - |
| Mitogen-activated protein kinase kinase kinase 12 | Ki | = | 4.08 | nM | 8.39 | Inhibition of N-terminally GST-tagged human DLK catalytic domain (1 to 520 amino... | - |
Data from ChEMBL 36 via Core Engine