Compound Detail
CHEMBL340844
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CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)OC1c2c(ccc3ccc(=O)oc23)OC(C)(C)C1OC(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C
Basic Information
| ChEMBL ID | CHEMBL340844 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VHSCXZVKCXNRPH-XKVHAYJMSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
626.8
MW (Da)
8.60
ALogP
9
HBA
0
HBD
110.5
PSA (Ų)
0.23
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 4.94 | 4.94 | 11400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 11400.0 | nM | 4.94 | Anti-HIV activity in acutely infected H9 lymphocytes. | 7525962 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7525962 | 10.1021/jm00049a014 | Human immunodeficiency virus 1 | 4 |
Data from ChEMBL 36 via Core Engine