Compound Detail
CHEMBL454705
ALBANOL A 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
CC1=C[C@@H]2c3c(O)cc(-c4cc5ccc(O)cc5o4)cc3O[C@]3(c4ccc(O)cc4O)Oc4cc(O)ccc4[C@@H](C1)C23
Basic Information
| ChEMBL ID | CHEMBL454705 |
| Name | ALBANOL A |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MJJWBJFYYRAYKU-WLKQUGLZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
562.6
MW (Da)
7.10
ALogP
8
HBA
5
HBD
132.8
PSA (Ų)
0.14
QED
2
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aromatase CHEMBL1978 | IC50 | 5.12 | 5.12 | 7500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aromatase | IC50 | = | 7500.0 | nM | 5.12 | Inhibition of aromatase from human placental microsomes | 11678652 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11678652 | 10.1021/np010288l | Aromatase | 1 |
Data from ChEMBL 36 via Core Engine