Compound Detail
CHEMBL578267
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
CC(C)CC(=O)c1c(O)c(C(=O)CC(C)C)c(O)c(C(c2ccc(OCc3ccccc3)cc2)c2c(O)c(C(=O)CC(C)C)c(O)c(C(=O)CC(C)C)c2O)c1O
Basic Information
| ChEMBL ID | CHEMBL578267 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TWECRHLYFJYKQB-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
782.9
MW (Da)
9.59
ALogP
11
HBA
6
HBD
198.9
PSA (Ų)
0.04
QED
4
Ro5 Violations
18
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.99
IC50 1 meas. best 5.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | EC50 | 5.99 | 5.99 | 1035.0 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 5.57 | 5.57 | 2710.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase | EC50 | = | 1035.0 | nM | 5.99 | Inhibition of HIV1 reverse transcriptase by EIA | 20137956 |
| Human immunodeficiency virus 1 | IC50 | = | 2710.0 | nM | 5.57 | Antiviral activity against HIV1 NL4-3 infected in GFP expressing human CEM cells... | 20137956 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20137956 | 10.1016/j.bmc.2010.01.023 | Human immunodeficiency virus 1 | 2 |
| 20137956 | 10.1016/j.bmc.2010.01.023 | Human immunodeficiency virus type 1 reverse transcriptase | 2 |
| 20137956 | 10.1016/j.bmc.2010.01.023 | CCRF-CEM | 2 |
Data from ChEMBL 36 via Core Engine