Compound Detail
CHEMBL538649
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Basic Information
| ChEMBL ID | CHEMBL538649 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NNHHVITYZMHGMN-DUXPYHPUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
195.2
MW (Da)
0.62
ALogP
4
HBA
4
HBD
89.8
PSA (Ų)
0.24
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.68 | 5.68 | 2100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2100.0 | nM | 5.68 | Evaluated for the antioxidant property by measuring the inhibition of microsomal... | 11206462 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11206462 | 10.1016/s0960-894x(00)00630-2 | Unchecked | 1 |
| 11354370 | 10.1016/s0960-894x(01)00165-2 | B16 | 1 |
| 11354370 | 10.1016/s0960-894x(01)00165-2 | HCT-116 | 1 |
| 11354370 | 10.1016/s0960-894x(01)00165-2 | A-431 | 1 |
Data from ChEMBL 36 via Core Engine