Compound Detail
CHEMBL461825
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CC1(C)C(=O)CC[C@@]2(C)[C@@H]3C[C@@H]4[C@@H]5C[C@@]3(CC[C@@H]12)C[C@@]45C
Basic Information
| ChEMBL ID | CHEMBL461825 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DVXUPVLGDAAEFK-WBKRPPKXSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
286.5
MW (Da)
4.84
ALogP
1
HBA
0
HBD
17.1
PSA (Ų)
0.62
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HeLa CHEMBL399 | IC50 | 4.47 | 4.47 | 33500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HeLa | IC50 | = | 33500.0 | nM | 4.47 | Cytotoxicity against human HeLa cells by MTT method | 17547457 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17547457 | 10.1021/np0603976 | Aorta | 2 |
| 17547457 | 10.1021/np0603976 | HeLa | 1 |
| 15104505 | 10.1021/np030423p | HeLa | 1 |
| 15104505 | 10.1021/np030423p | L1210 | 1 |
| 20353194 | 10.1021/np900806j | Mycobacterium tuberculosis | 1 |
Data from ChEMBL 36 via Core Engine