Compound Detail
CHEMBL387762
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Basic Information
| ChEMBL ID | CHEMBL387762 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PEEHTFAAVSWFBL-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
97.1
MW (Da)
-0.80
ALogP
2
HBA
1
HBD
46.2
PSA (Ų)
0.40
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 CHEMBL2095188 | IC50 | 5.22 | 5.22 | 6000.0 | 1 |
| C-C chemokine receptor type 6 CHEMBL4423 | IC50 | 4.64 | 4.64 | 22800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 | IC50 | = | 6000.0 | nM | 5.22 | Inhibition of rabbit GSK3 | 16279768 |
| C-C chemokine receptor type 6 | IC50 | = | 22800.0 | nM | 4.64 | PUBCHEM_BIOASSAY: Dose Response confirmation of small molecule antagonists of th... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16279768 | 10.1021/jm040895g | Glycogen synthase kinase-3 | 1 |
Data from ChEMBL 36 via Core Engine