Compound Detail
CHEMBL160187
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C/C=C(\C)C(=O)O[C@H]1C(C)=C2[C@H]([C@@H]1OC(=O)CCCCCCC)[C@@](C)(OC(C)=O)C[C@H](OC(=O)CCC)[C@@]1(O)[C@H]2OC[C@@]1(C)O
Basic Information
| ChEMBL ID | CHEMBL160187 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AJRGQFQKJZPYIV-FWNQVWLZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
636.8
MW (Da)
4.40
ALogP
11
HBA
2
HBD
154.9
PSA (Ų)
0.10
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bos taurus CHEMBL613489 | IC50 | 9.74 | 9.74 | 0.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bos taurus | IC50 | = | 0.18 | nM | 9.74 | Inhibitory effect by measuring the ATP-dependent [Ca2+] uptake in membranes isol... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80174-8 | Bos taurus | 1 |
Data from ChEMBL 36 via Core Engine