Compound Detail
CHEMBL1981215
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Basic Information
| ChEMBL ID | CHEMBL1981215 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FPLAQCFCGCSDRB-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
398.3
MW (Da)
4.89
ALogP
4
HBA
2
HBD
76.1
PSA (Ų)
0.61
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta CHEMBL262 | Ki | 7.9 | 7.9 | 12.6 | 1 |
| Glycogen synthase kinase-3 alpha CHEMBL2850 | Ki | 7.8 | 7.8 | 15.8 | 1 |
| Dual specificity protein kinase CLK4 CHEMBL4203 | Ki | 6.9 | 6.9 | 125.9 | 1 |
| Activin receptor type-1 CHEMBL5903 | Ki | 6.9 | 6.9 | 125.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta | Ki | = | 12.59 | nM | 7.9 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| Glycogen synthase kinase-3 alpha | Ki | = | 15.85 | nM | 7.8 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| Activin receptor type-1 | Ki | = | 125.89 | nM | 6.9 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| Dual specificity protein kinase CLK4 | Ki | = | 125.89 | nM | 6.9 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
Data from ChEMBL 36 via Core Engine