Compound Detail
CHEMBL4443278
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Nc1cccc(CNC[C@H]2O[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](N)C[C@@H]3N)[C@H](N)[C@@H](O)[C@@H]2O)c1
Basic Information
| ChEMBL ID | CHEMBL4443278 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KMCWXKUEWLRGRM-ITRADPEYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
427.5
MW (Da)
-3.70
ALogP
11
HBA
9
HBD
215.5
PSA (Ų)
0.20
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein Rev CHEMBL1293282 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein Rev | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of [3H]Rev response element binding to HIV1 biotinylated-Rev protein ... | 30477891 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30477891 | 10.1016/j.bmcl.2018.11.004 | Protein Rev | 3 |
Data from ChEMBL 36 via Core Engine