Compound Detail
CHEMBL36463
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COc1cc(C(C2=C(O)C(=O)c3ccccc3C2=O)C2C(=O)c3ccccc3C(=O)C2O)cc(Br)c1O
Basic Information
| ChEMBL ID | CHEMBL36463 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BAUQRLNMEGBJFJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
563.4
MW (Da)
4.19
ALogP
8
HBA
3
HBD
138.2
PSA (Ų)
0.43
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase | IC50 | = | 20000.0 | nM | 4.7 | Inhibitory activity against HIV-1 integrase | 15006380 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15006380 | 10.1016/j.bmcl.2004.01.027 | Human immunodeficiency virus type 1 integrase | 1 |
Data from ChEMBL 36 via Core Engine