Compound Detail
CHEMBL598199
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Basic Information
| ChEMBL ID | CHEMBL598199 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GSLZUVHJGUWMRX-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
355.4
MW (Da)
1.45
ALogP
7
HBA
1
HBD
123.9
PSA (Ų)
0.74
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aromatase CHEMBL1978 | IC50 | 8.7 | 8.7 | 2.0 | 2 |
| Steryl-sulfatase CHEMBL3559 | IC50 | 7.46 | 7.46 | 35.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aromatase | IC50 | = | 2.0 | nM | 8.7 | Inhibition of aromatase in human JEG3 cells by scintillation spectrometry | 20148564 |
| Aromatase | IC50 | = | 2.0 | nM | 8.7 | Inhibition of aromatase in human JEG-3 cells using [1beta-3H]androstenedione aft... | 24900302 |
| Steryl-sulfatase | IC50 | = | 35.0 | nM | 7.46 | Inhibition of steroid sulfatase in human JEG3 cells by scintillation spectrometr... | 20148564 |
| Steryl-sulfatase | IC50 | = | 35.0 | nM | 7.46 | 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 |
|---|---|---|---|
| 20148564 | 10.1021/jm901705h | Rattus norvegicus | 3 |
| 20148564 | 10.1021/jm901705h | Aromatase | 1 |
| 20148564 | 10.1021/jm901705h | Steryl-sulfatase | 1 |
| 24900302 | 10.1021/ml100273k | Aromatase | 1 |
| 24900302 | 10.1021/ml100273k | Steryl-sulfatase | 1 |
Data from ChEMBL 36 via Core Engine