Compound Detail
CHEMBL1992732
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Basic Information
| ChEMBL ID | CHEMBL1992732 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WLLUQXGGNFUQGM-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
411.4
MW (Da)
1.00
ALogP
11
HBA
2
HBD
149.6
PSA (Ų)
0.43
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 alpha CHEMBL2850 | Ki | 8.2 | 8.2 | 6.3 | 1 |
| Glycogen synthase kinase-3 beta CHEMBL262 | Ki | 7.4 | 7.4 | 39.8 | 1 |
| Serine/threonine-protein kinase pim-1 CHEMBL2147 | Ki | 6.8 | 6.8 | 158.5 | 1 |
| Mitogen-activated protein kinase 12 CHEMBL4674 | Ki | 6.1 | 6.1 | 794.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 alpha | Ki | = | 6.31 | nM | 8.2 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| Glycogen synthase kinase-3 beta | Ki | = | 39.81 | nM | 7.4 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| Serine/threonine-protein kinase pim-1 | Ki | = | 158.49 | nM | 6.8 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| Mitogen-activated protein kinase 12 | Ki | = | 794.33 | nM | 6.1 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
Data from ChEMBL 36 via Core Engine