Compound Detail
CHEMBL1171825
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OC[C@@H](O)C[C@H]1OCC2(O)c3c(cc(O)c4c3O[C@@H](c3cc(O)c(O)c(O)c3)[C@@H](O)C4)OC12O
Basic Information
| ChEMBL ID | CHEMBL1171825 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OCFGCQZKEZMCTB-XAFMXYOFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
480.4
MW (Da)
-1.04
ALogP
12
HBA
9
HBD
209.8
PSA (Ų)
0.24
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 5.4 | 5.4 | 4000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 4000.0 | nM | 5.4 | Antiviral activity against HIV1 3B infected in H9 cells assessed as inhibition o... | 20187635 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20187635 | 10.1021/np900821e | Human immunodeficiency virus 1 | 1 |
| 20187635 | 10.1021/np900821e | ADMET | 1 |
Data from ChEMBL 36 via Core Engine