Compound Detail
CHEMBL2012313
CEREBROSIDE Enter ChEMBL ID:
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CCCCCCCCCCCCCCC[C@@H](O)C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CC/C=C(\C)CCCCCCCCC
Basic Information
| ChEMBL ID | CHEMBL2012313 |
| Name | CEREBROSIDE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JSPNNZKWADNWHI-PNANGNLXSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
742.1
MW (Da)
6.91
ALogP
9
HBA
7
HBD
168.9
PSA (Ų)
0.03
QED
3
Ro5 Violations
33
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amyloid-beta precursor protein CHEMBL2487 | IC50 | 4.2 | 4.2 | 62700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amyloid-beta precursor protein | IC50 | = | 62700.0 | nM | 4.2 | Inhibition of human amyloid beta (1 to 40) aggregation after 24 hrs by ThT fluor... | 31791817 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22401866 | 10.1016/j.bmcl.2012.02.031 | PC-12 | 1 |
| 31791817 | 10.1016/j.bmcl.2019.126808 | Amyloid-beta precursor protein | 1 |
Data from ChEMBL 36 via Core Engine