Compound Detail
CHEMBL3137914
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
C[C@]12CC[C@H]3[C@@H](CC[C@@]45O[C@@H]4C(=O)CC[C@]35C)[C@@H]1CC[C@@H]2O
Basic Information
| ChEMBL ID | CHEMBL3137914 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FNRMBSNOUHBOND-VUNIDFEISA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
304.4
MW (Da)
3.09
ALogP
3
HBA
1
HBD
49.8
PSA (Ų)
0.70
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein Tat CHEMBL4609 | IC50 | 4.81 | 4.81 | 15400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein Tat | IC50 | = | 15400.0 | nM | 4.81 | 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