Compound Detail
CHEMBL2001987
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Basic Information
| ChEMBL ID | CHEMBL2001987 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZAEAGGGBPKOFMY-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
368.3
MW (Da)
4.57
ALogP
3
HBA
2
HBD
66.9
PSA (Ų)
0.65
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta CHEMBL262 | Ki | 8.1 | 8.1 | 7.9 | 1 |
| Glycogen synthase kinase-3 alpha CHEMBL2850 | Ki | 7.9 | 7.9 | 12.6 | 1 |
| Activin receptor type-1 CHEMBL5903 | Ki | 7.2 | 7.2 | 63.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta | Ki | = | 7.943 | nM | 8.1 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| Glycogen synthase kinase-3 alpha | Ki | = | 12.59 | nM | 7.9 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| Activin receptor type-1 | Ki | = | 63.1 | nM | 7.2 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
Data from ChEMBL 36 via Core Engine