Compound Detail
CHEMBL3926548
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CC1(C)OC[C@@]2(C[C@@]34CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]3CC[C@H]2C4)O1
Basic Information
| ChEMBL ID | CHEMBL3926548 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CUMXMFWUFRFNQK-OCIMHDLJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
360.5
MW (Da)
5.12
ALogP
3
HBA
0
HBD
35.5
PSA (Ų)
0.60
QED
1
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.09 | 5.09 | 8146.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 8146.0 | nM | 5.09 | Cytotoxicity against human Hep3B cells assessed as cell growth inhibition by MTT... | 27913179 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27913179 | 10.1016/j.bmcl.2016.11.063 | NON-PROTEIN TARGET | 2 |
Data from ChEMBL 36 via Core Engine