Compound Detail
CHEMBL3137920
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CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@@]4(O)[C@@H](Cl)C(=O)C(C(N)=O)C[C@]4(C)[C@H]3CC[C@]12C
Basic Information
| ChEMBL ID | CHEMBL3137920 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JVBFUVZEMULQSD-CQXXJCQUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
425.9
MW (Da)
2.57
ALogP
5
HBA
2
HBD
106.7
PSA (Ų)
0.40
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein Tat CHEMBL4609 | IC50 | 5.08 | 5.08 | 8400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein Tat | IC50 | = | 8400.0 | nM | 5.08 | The compound was tested for inhibition of HIV-1 replication in SW480 cells using... | 7650672 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7650672 | 10.1021/jm00017a003 | Protein Tat | 1 |
Data from ChEMBL 36 via Core Engine