Compound Detail
CHEMBL1987430
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Basic Information
| ChEMBL ID | CHEMBL1987430 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CJJKTILOCMYOOH-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
374.4
MW (Da)
5.25
ALogP
3
HBA
2
HBD
66.9
PSA (Ų)
0.66
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 alpha CHEMBL2850 | Ki | 8.3 | 8.3 | 5.0 | 1 |
| Glycogen synthase kinase-3 beta CHEMBL262 | Ki | 8.2 | 8.2 | 6.3 | 1 |
| Dual specificity protein kinase CLK4 CHEMBL4203 | Ki | 6.8 | 6.8 | 158.5 | 1 |
| Activin receptor type-1 CHEMBL5903 | Ki | 5.7 | 5.7 | 1995.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 alpha | Ki | = | 5.012 | nM | 8.3 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| Glycogen synthase kinase-3 beta | Ki | = | 6.31 | nM | 8.2 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| Dual specificity protein kinase CLK4 | Ki | = | 158.49 | nM | 6.8 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| Activin receptor type-1 | Ki | = | 1995.26 | nM | 5.7 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
Data from ChEMBL 36 via Core Engine