Compound Detail
CHEMBL1967336
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Basic Information
| ChEMBL ID | CHEMBL1967336 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KGCRKAITGGKXHI-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
301.3
MW (Da)
2.95
ALogP
4
HBA
2
HBD
79.8
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 alpha CHEMBL2850 | Ki | 7.7 | 7.7 | 19.9 | 1 |
| Glycogen synthase kinase-3 beta CHEMBL262 | Ki | 7.6 | 7.6 | 25.1 | 1 |
| Cyclin-dependent kinase 5 CHEMBL4036 | Ki | 6.7 | 6.7 | 199.5 | 1 |
| Cyclin-dependent kinase 8 CHEMBL5719 | Ki | 6.6 | 6.6 | 251.2 | 1 |
| Cyclin-dependent kinase 9 CHEMBL3116 | Ki | 6.0 | 6.0 | 1000.0 | 1 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1B CHEMBL5543 | Ki | 5.8 | 5.8 | 1584.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 alpha | Ki | = | 19.95 | nM | 7.7 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| Glycogen synthase kinase-3 beta | Ki | = | 25.12 | nM | 7.6 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| Cyclin-dependent kinase 5 | Ki | = | 199.53 | nM | 6.7 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| Cyclin-dependent kinase 8 | Ki | = | 251.19 | nM | 6.6 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| Cyclin-dependent kinase 9 | Ki | = | 1000.0 | nM | 6.0 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1B | Ki | = | 1584.89 | nM | 5.8 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
Data from ChEMBL 36 via Core Engine