Compound Detail
CHEMBL5408629
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Basic Information
| ChEMBL ID | CHEMBL5408629 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BNTKXWGTBCOSGU-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
429.5
MW (Da)
5.83
ALogP
6
HBA
2
HBD
117.7
PSA (Ų)
0.18
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| No relevant target CHEMBL2362975 | IC50 | 5.36 | 5.355 | 4410.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| No relevant target | IC50 | = | 4410.0 | nM | 5.36 | Antioxidant activity assessed as ABTS radical scavenging activity after 6 mins b... | 38389875 |
| No relevant target | IC50 | = | 4430.0 | nM | 5.35 | Antioxidant activity assessed as DPPH radical scavenging activity after 30 mins ... | 38389875 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38389875 | 10.1039/d3md00564j | No relevant target | 4 |
| 38389875 | 10.1039/d3md00564j | ADMET | 3 |
Data from ChEMBL 36 via Core Engine