Compound Detail
CHEMBL510803
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C=C(/C=C/C=C(/CO)[C@@H]1CC[C@]2([C@H](CCCO)/C(=C(/C)C=O)CC[C@]2(C)O)[C@H]1O)CCC=C(C)C
Basic Information
| ChEMBL ID | CHEMBL510803 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XVFORSWJIMCHND-HWEIDYSJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
486.7
MW (Da)
4.97
ALogP
5
HBA
4
HBD
98.0
PSA (Ų)
0.14
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 200.0 | nM | 6.7 | Displacement of [3H]PDBu from partially purified rabbit brain PKC | 10075762 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10075762 | 10.1021/np980461m | Unchecked | 2 |
| 10075762 | 10.1021/np980461m | HL-60 | 2 |
| 10075762 | 10.1021/np980461m | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine