Compound Detail
CHEMBL108425
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Basic Information
| ChEMBL ID | CHEMBL108425 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GGPPBTSXFROGAE-UHFFFAOYSA-N |
1
Targets
6
Activities
1
Assay Types
0
PK Parameters
15
Publications
0
Known Names
Molecular Properties
354.2
MW (Da)
3.38
ALogP
5
HBA
0
HBD
57.7
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 9.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aromatase CHEMBL1978 | IC50 | 9.92 | 9.42 | 0.1 | 6 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aromatase | IC50 | = | 0.12 | nM | 9.92 | Inhibition of aromatase in human placental microsome | 25992880 |
| Aromatase | IC50 | = | 0.4 | nM | 9.4 | Inhibition of human placental microsome aromatase using [1beta,2beta3H]androsten... | 31129450 |
| Aromatase | IC50 | = | 0.5 | nM | 9.3 | In vitro inhibition of [1-beta-3H]-androstenedione binding to Cytochrome P450 19... | 12852749 |
| Aromatase | IC50 | = | 0.5 | nM | 9.3 | Inhibition of aromatase in JEG3 cell membrane | 17580845 |
| Aromatase | IC50 | = | 0.5 | nM | 9.3 | Inhibition of aromatase in human JEG-3 cells using [1beta-3H]androstenedione aft... | 24900302 |
| Aromatase | IC50 | = | 0.5 | nM | 9.3 | Inhibition of aromatase in human JEG-3 cells | 34313432 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25992880 | 10.1021/acs.jmedchem.5b00386 | Rattus norvegicus | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 12852749 | 10.1021/jm034033b | Aromatase | 1 |
| 12852749 | 10.1021/jm034033b | Steryl-sulfatase | 1 |
| 17580845 | 10.1021/jm061462b | Aromatase | 1 |
| 17580845 | 10.1021/jm061462b | Steryl-sulfatase | 1 |
| 24900302 | 10.1021/ml100273k | Aromatase | 1 |
| 24900302 | 10.1021/ml100273k | Steryl-sulfatase | 1 |
| 25992880 | 10.1021/acs.jmedchem.5b00386 | Aromatase | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| 31129450 | 10.1016/j.ejmech.2019.05.023 | Aromatase | 1 |
| 31255926 | 10.1016/j.ejmech.2019.06.052 | Rattus norvegicus | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
| 34313432 | 10.1021/acs.jmedchem.1c00683 | Aromatase | 1 |
Data from ChEMBL 36 via Core Engine