Compound Detail
CHEMBL598009
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Basic Information
| ChEMBL ID | CHEMBL598009 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KNULFZXZLBIFJX-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
364.8
MW (Da)
2.23
ALogP
6
HBA
1
HBD
100.1
PSA (Ų)
0.75
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aromatase CHEMBL1978 | IC50 | 7.16 | 7.16 | 70.0 | 1 |
| Steryl-sulfatase CHEMBL3559 | IC50 | 6.8 | 6.8 | 160.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aromatase | IC50 | = | 70.0 | nM | 7.16 | Inhibition of aromatase in human JEG3 cells by scintillation spectrometry | 20148564 |
| Steryl-sulfatase | IC50 | = | 160.0 | nM | 6.8 | Inhibition of steroid sulfatase in human JEG3 cells by scintillation spectrometr... | 20148564 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20148564 | 10.1021/jm901705h | Aromatase | 1 |
| 20148564 | 10.1021/jm901705h | Steryl-sulfatase | 1 |
Data from ChEMBL 36 via Core Engine