Compound Detail
CHEMBL4519496
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Basic Information
| ChEMBL ID | CHEMBL4519496 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AMKXSJPNKIFVBS-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
443.4
MW (Da)
5.16
ALogP
4
HBA
0
HBD
34.0
PSA (Ų)
0.41
QED
1
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| No relevant target CHEMBL2362975 | IC50 | 7.06 | 7.06 | 86.2 | 1 |
| Acetylcholinesterase CHEMBL220 | IC50 | 6.6 | 6.6 | 250.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| No relevant target | IC50 | = | 86.25 | nM | 7.06 | Antioxidant activity assessed as DPPH radical scavenging activity incubated for ... | 30956014 |
| Acetylcholinesterase | IC50 | = | 250.0 | nM | 6.6 | Inhibition of AChE in erythrocytes (unknown origin) pre-incubated for 20 mins be... | 30956014 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30956014 | 10.1016/j.bmcl.2019.04.002 | Acetylcholinesterase | 3 |
| 30956014 | 10.1016/j.bmcl.2019.04.002 | No relevant target | 2 |
Data from ChEMBL 36 via Core Engine