Compound Detail
CHEMBL4747354
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Basic Information
| ChEMBL ID | CHEMBL4747354 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DPWVQQJNTYCCGU-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
252.3
MW (Da)
1.96
ALogP
4
HBA
2
HBD
76.0
PSA (Ų)
0.86
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| No relevant target CHEMBL2362975 | IC50 | 5.08 | 4.955 | 8400.0 | 2 |
| SH-SY5Y CHEMBL614910 | IC50 | 4.49 | 4.49 | 32300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| No relevant target | IC50 | = | 8400.0 | nM | 5.08 | Antioxidant activity assessed as DPPH radical scavenging activity incubated for ... | 27541262 |
| No relevant target | IC50 | = | 14900.0 | nM | 4.83 | Antioxidant activity assessed as DPPH radical scavenging activity incubated for ... | 32706255 |
| SH-SY5Y | IC50 | = | 32300.0 | nM | 4.49 | Antioxidant activity in human SH-SY5Y cells assessed as inhibition of H2O2-induc... | 27541262 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27541262 | 10.1016/j.ejmech.2016.08.007 | SH-SY5Y | 18 |
| 32706255 | 10.1021/acs.jmedchem.0c00528 | Cholinesterase | 2 |
| 32706255 | 10.1021/acs.jmedchem.0c00528 | Beta-secretase 1 | 2 |
| 27541262 | 10.1016/j.ejmech.2016.08.007 | No relevant target | 1 |
| 27541262 | 10.1016/j.ejmech.2016.08.007 | ADMET | 1 |
| 32706255 | 10.1021/acs.jmedchem.0c00528 | Acetylcholinesterase | 1 |
| 32706255 | 10.1021/acs.jmedchem.0c00528 | No relevant target | 1 |
| 32706255 | 10.1021/acs.jmedchem.0c00528 | Amyloid-beta precursor protein | 1 |
| 32706255 | 10.1021/acs.jmedchem.0c00528 | Microtubule-associated protein tau | 1 |
| 32706255 | 10.1021/acs.jmedchem.0c00528 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine