Compound Detail
CHEMBL3351072
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C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)/C=C/C(CO)C(C)(C)O)CC[C@@H]23)C[C@@H](O)C[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL3351072 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UHMSHZFVGABXAS-CNSXIJCOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
444.7
MW (Da)
4.70
ALogP
4
HBA
4
HBD
80.9
PSA (Ų)
0.45
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RWLeu4 CHEMBL614885 | IC50 | 7.02 | 7.02 | 96.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RWLeu4 | IC50 | = | 96.0 | nM | 7.02 | Concentration required to decrease [3H]thymidine incorporation by 50 percent in ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80123-7 | RWLeu4 | 1 |
Data from ChEMBL 36 via Core Engine