Compound Detail
CHEMBL352285
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
COc1cc2c(c3oc(=O)cc(C)c13)[C@@H](OC(=O)C13CCC(C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)C13CCC(C)(C(=O)O1)C3(C)C)C(C)(C)O2
Basic Information
| ChEMBL ID | CHEMBL352285 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BUAOKJVDRWAOOP-YVGZAEJESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
666.7
MW (Da)
5.02
ALogP
12
HBA
0
HBD
153.9
PSA (Ų)
0.24
QED
3
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| H9 CHEMBL614806 | EC50 | 5.14 | 5.14 | 7210.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| H9 | EC50 | = | 7210.0 | nM | 5.14 | Inhibitory activity against HIV-1 replication in H9 lymphocytes | 11262077 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11262077 | 10.1021/jm000070g | H9 | 2 |
| 11262077 | 10.1021/jm000070g | ADMET | 1 |
Data from ChEMBL 36 via Core Engine