Compound Detail
CHEMBL2068938
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C=C(C)[C@@H]1CC[C@]2(C(=O)NN)CC[C@@]3(C)C(CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)C5CC[C@]43C)C12
Basic Information
| ChEMBL ID | CHEMBL2068938 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LCWLIURWPQHNSO-YQQUFVOTSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
468.7
MW (Da)
6.20
ALogP
3
HBA
2
HBD
72.2
PSA (Ų)
0.22
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human alphaherpesvirus 1 CHEMBL377 | EC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human alphaherpesvirus 1 | EC50 | = | 10000.0 | nM | 5.0 | Antiviral activity against HSV-1 determined by inhibition of viral cytopathic ef... | 14505668 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14505668 | 10.1016/s0960-894x(03)00714-5 | Human alphaherpesvirus 1 | 2 |
| 14505668 | 10.1016/s0960-894x(03)00714-5 | Influenza A virus | 1 |
| 14505668 | 10.1016/s0960-894x(03)00714-5 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine