Compound Detail
CHEMBL577877
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CC(C)CC(=O)c1c(O)c(C(=O)CC(C)C)c(O)c(C(c2ccccc2)c2c(O)c(C(=O)CC(C)C)c(O)c(C(=O)CC(C)C)c2O)c1O
Basic Information
| ChEMBL ID | CHEMBL577877 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IUSCIWQSKRPOKM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
676.8
MW (Da)
8.02
ALogP
10
HBA
6
HBD
189.7
PSA (Ų)
0.07
QED
3
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 6.55 | 6.55 | 280.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | IC50 | = | 280.0 | nM | 6.55 | 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 type 1 reverse transcriptase | 2 |
| 20137956 | 10.1016/j.bmc.2010.01.023 | Human immunodeficiency virus 1 | 2 |
| 20137956 | 10.1016/j.bmc.2010.01.023 | CCRF-CEM | 2 |
Data from ChEMBL 36 via Core Engine