Compound Detail
CHEMBL315869
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CC(=O)O[C@@H]1[C@H](OC(=O)C23CCC(C)(C(=O)O2)C3(C)C)c2c(ccc3c(C)cc(=O)oc23)OC1(C)C
Basic Information
| ChEMBL ID | CHEMBL315869 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MDLHALARMNGVAE-CUFNRJLSSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
498.5
MW (Da)
3.91
ALogP
9
HBA
0
HBD
118.3
PSA (Ų)
0.35
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.26
IC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 5.26 | 5.26 | 5520.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 5520.0 | nM | 5.26 | Antiviral activity against HIV-1 in H9 lymphocytes. | 10411486 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10411486 | 10.1021/jm9900624 | Human immunodeficiency virus 1 | 2 |
| 10411486 | 10.1021/jm9900624 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine