Compound Detail
CHEMBL1672977
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Basic Information
| ChEMBL ID | CHEMBL1672977 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PLIOBJKCZMGNIH-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
464.5
MW (Da)
3.01
ALogP
8
HBA
1
HBD
127.1
PSA (Ų)
0.45
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aromatase CHEMBL1978 | IC50 | 9.82 | 9.82 | 0.1 | 1 |
| Steryl-sulfatase CHEMBL3559 | IC50 | 8.64 | 8.64 | 2.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aromatase | IC50 | = | 0.15 | nM | 9.82 | Inhibition of aromatase in human JEG-3 cells using [1beta-3H]androstenedione aft... | 24900302 |
| Steryl-sulfatase | IC50 | = | 2.3 | nM | 8.64 | Inhibition of steroid sulfatase in human JEG-3 cells using [6,7-3H]E1S after 1 h... | 24900302 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900302 | 10.1021/ml100273k | Aromatase | 1 |
| 24900302 | 10.1021/ml100273k | Steryl-sulfatase | 1 |
Data from ChEMBL 36 via Core Engine