Compound Detail
CHEMBL4798123
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CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)NC13CC4CC(CC(C4)C1)C3)C(=O)C2
Basic Information
| ChEMBL ID | CHEMBL4798123 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RLXGNWATYLVQEE-WHKRZQRVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
365.5
MW (Da)
3.27
ALogP
3
HBA
1
HBD
63.2
PSA (Ų)
0.83
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vaccinia virus CHEMBL613493 | IC50 | 5.64 | 5.64 | 2300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vaccinia virus | IC50 | = | 2300.0 | nM | 5.64 | Antiviral activity against Vaccinia virus Copenhagen infected in African green m... | 33479623 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33479623 | 10.1039/d0md00108b | Vaccinia virus | 1 |
| 33479623 | 10.1039/d0md00108b | Vero | 1 |
| 33479623 | 10.1039/d0md00108b | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine