Compound Detail
CHEMBL143332
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C=C(C)[C@@H]1CC[C@]2(COC(=O)C34CC5CC(CC(C5)C3)C4)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)CC(=O)O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12
Basic Information
| ChEMBL ID | CHEMBL143332 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LJHNBWGYKYPBKR-RVAXXVEZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
747.1
MW (Da)
11.21
ALogP
5
HBA
1
HBD
89.9
PSA (Ų)
0.19
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.53
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| H9 CHEMBL614806 | EC50 | 5.53 | 5.53 | 2980.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| H9 | EC50 | = | 2980.0 | nM | 5.53 | Anti-HIV activity against acutely infected H9 lymphocytes. Activity expressed as... | 9804704 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9804704 | 10.1021/jm980391g | H9 | 2 |
| 9804704 | 10.1021/jm980391g | ADMET | 1 |
Data from ChEMBL 36 via Core Engine