Compound Detail
CHEMBL4287929
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Basic Information
| ChEMBL ID | CHEMBL4287929 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MIGUDXJSUAFAEH-ZZXKWVIFSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
230.2
MW (Da)
2.22
ALogP
4
HBA
2
HBD
70.7
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| No relevant target CHEMBL2362975 | IC50 | 5.71 | 5.71 | 1940.0 | 1 |
| RAW264.7 CHEMBL612557 | IC50 | 5.5 | 5.5 | 3200.0 | 1 |
| Amyloid-beta precursor protein CHEMBL2487 | IC50 | 5.15 | 5.145 | 7120.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| No relevant target | IC50 | = | 1940.0 | nM | 5.71 | Antioxidant activity assessed as ABTS radical scavenging activity incubated for ... | 30360953 |
| RAW264.7 | IC50 | = | 3200.0 | nM | 5.5 | Antiinflammatory activity in mouse RAW264.7 assessed as reduction in LPS-induced... | 34023737 |
| Amyloid-beta precursor protein | IC50 | = | 7120.0 | nM | 5.15 | Inhibition of amyloid beta (1 to 42) (unknown origin) self-induced aggregation i... | 34274550 |
| Amyloid-beta precursor protein | IC50 | = | 7200.0 | nM | 5.14 | Inhibition of HFIP-pretreated amyloid beta (1 to 42) (unknown origin) self-induc... | 30360953 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30360953 | 10.1016/j.bmc.2018.08.011 | Amyloid-beta precursor protein | 7 |
| 30360953 | 10.1016/j.bmc.2018.08.011 | No relevant target | 7 |
| 34274550 | 10.1016/j.bmc.2021.116306 | Amyloid-beta precursor protein | 2 |
| 34274550 | 10.1016/j.bmc.2021.116306 | No relevant target | 1 |
| 34023737 | 10.1016/j.ejmech.2021.113546 | RAW264.7 | 1 |
Data from ChEMBL 36 via Core Engine