Compound Detail
CHEMBL3970955
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Basic Information
| ChEMBL ID | CHEMBL3970955 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ITHCRZUMMLUQBP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
395.4
MW (Da)
5.19
ALogP
4
HBA
0
HBD
48.0
PSA (Ų)
0.55
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Translocator protein CHEMBL5742 | IC50 | 8.8 | 8.8 | 1.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Translocator protein | IC50 | = | 1.6 | nM | 8.8 | Inhibition of TSPO (unknown origin) | 27855359 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27855359 | 10.1016/j.ejmech.2016.11.017 | Translocator protein | 1 |
Data from ChEMBL 36 via Core Engine