Compound Detail
CHEMBL2386881
CAPROSPINOL Enter ChEMBL ID:
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CCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4C[C@@H]5O[C@]6(CC[C@@H](C)CO6)[C@@H](C)[C@@H]5[C@@]4(C)CC[C@@H]32)C1
Basic Information
| ChEMBL ID | CHEMBL2386881 |
| Name | CAPROSPINOL |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VMOZFSWFUBLCNN-MRVXSCHDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
512.8
MW (Da)
7.85
ALogP
4
HBA
0
HBD
44.8
PSA (Ų)
0.21
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amyloid-beta precursor protein CHEMBL2487 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amyloid-beta precursor protein | IC50 | = | 100000.0 | nM | 4.0 | Inhibition of amyloid beta (1 to 42) aggregation (unknown origin) at 4:1 compoun... | 23484434 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23484434 | 10.1021/jm3017317 | Amyloid-beta precursor protein | 1 |
| 26526742 | 10.1016/j.bmc.2015.10.032 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine