Compound Detail
CHEMBL7633
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CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@H](CC)[C@@H](C)C3=O
Basic Information
| ChEMBL ID | CHEMBL7633 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AANKYZBKRDCCHT-IUODEOHRSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
382.5
MW (Da)
4.92
ALogP
5
HBA
0
HBD
65.7
PSA (Ų)
0.71
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CEM-SS CHEMBL614548 | IC50 | 4.75 | 4.75 | 18000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CEM-SS | IC50 | = | 18000.0 | nM | 4.75 | Antiviral activity against HIV-1 determined by concentration which resulted in c... | 9083491 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9083491 | 10.1021/jm960355m | CEM-SS | 2 |
Data from ChEMBL 36 via Core Engine