Compound Detail
CHEMBL4787961
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CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)CCCC2(C)C)CCCC1
Basic Information
| ChEMBL ID | CHEMBL4787961 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OJKVNSOZHYKLQR-WSRSPSKNSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
508.8
MW (Da)
11.97
ALogP
0
HBA
0
HBD
0.0
PSA (Ų)
0.26
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amyloid-beta precursor protein CHEMBL2487 | IC50 | 6.75 | 6.75 | 180.0 | 1 |
| Alpha-synuclein CHEMBL6152 | IC50 | 6.6 | 6.6 | 250.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amyloid-beta precursor protein | IC50 | = | 180.0 | nM | 6.75 | Inhibition of amyloid beta (1 to 40) (unknown origin) incubated for 24 hrs to 7 ... | 30743095 |
| Alpha-synuclein | IC50 | = | 250.0 | nM | 6.6 | Inhibition of alpha-synuclein fibril formation (unknown origin) incubated for 24... | 30743095 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30743095 | 10.1016/j.ejmech.2019.01.045 | Alpha-synuclein | 1 |
| 30743095 | 10.1016/j.ejmech.2019.01.045 | Amyloid-beta precursor protein | 1 |
Data from ChEMBL 36 via Core Engine