Compound Detail
CHEMBL560764
BREVIONE F Enter ChEMBL ID:
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CC1=CC(=O)C=C[C@]2(C)[C@H]3[C@@H](O)C=C(C)[C@@]4(Cc5c(c(C)c(C)oc5=O)O4)[C@]3(C)CC[C@@H]12
Basic Information
| ChEMBL ID | CHEMBL560764 |
| Name | BREVIONE F |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JTYNVLZPECDEQA-RLHAFYHFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
436.6
MW (Da)
4.38
ALogP
5
HBA
1
HBD
76.7
PSA (Ų)
0.61
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.83
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HIV-1 M:B_Lai CHEMBL612775 | EC50 | 4.83 | 4.83 | 14700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HIV-1 M:B_Lai | EC50 | = | 14700.0 | nM | 4.83 | Antiviral activity against HIV-1 M:B_Lai replication in human C8166 cells assess... | 19326880 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19326880 | 10.1021/np900116m | HeLa | 1 |
| 19326880 | 10.1021/np900116m | C8166 | 1 |
| 19326880 | 10.1021/np900116m | HIV-1 M:B_Lai | 1 |
Data from ChEMBL 36 via Core Engine