Compound Detail
CHEMBL52086
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C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)CCCC(C)(C)O)CC[C@@H]23)C[C@@H](OC)C[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL52086 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OPONXDUIGBNYHS-JJWMBMNSSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
430.7
MW (Da)
6.36
ALogP
3
HBA
2
HBD
49.7
PSA (Ų)
0.49
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RWLeu4 CHEMBL614885 | IC50 | 6.0 | 6.0 | 1000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RWLeu4 | IC50 | = | 1000.0 | nM | 6.0 | Inhibitory concentration required against proliferation or inducing differentiat... | - |
| RWLeu4 | IC50 | = | 1000.0 | nM | 6.0 | Inhibitory concentration required against proliferation or inducing differentiat... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80115-8 | RWLeu4 | 2 |
Data from ChEMBL 36 via Core Engine