Compound Detail
CHEMBL91467
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Cc1cc(=O)oc2c3c(ccc12)OC(C)(C)[C@H](O)[C@@H]3OC(=O)C12CC3CC(CC(C3)C1)C2
Basic Information
| ChEMBL ID | CHEMBL91467 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RZDCYBVOXCKRRE-JNCWAVDISA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
438.5
MW (Da)
4.43
ALogP
6
HBA
1
HBD
86.0
PSA (Ų)
0.55
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 4.37 | 4.37 | 43200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | IC50 | = | 43200.0 | nM | 4.37 | Anti-HIV activity in H9 lymphocytes. | 10411486 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10411486 | 10.1021/jm9900624 | Human immunodeficiency virus 1 | 1 |
| 10411486 | 10.1021/jm9900624 | H9 | 1 |
| 10411486 | 10.1021/jm9900624 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine