Compound Detail
CHEMBL27467
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Basic Information
| ChEMBL ID | CHEMBL27467 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QQMGXUVJMQNZGE-UHFFFAOYSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
298.4
MW (Da)
2.62
ALogP
3
HBA
1
HBD
63.4
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aromatase CHEMBL1978 | IC50 | 7.89 | 7.6467 | 13.0 | 3 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aromatase | IC50 | = | 13.0 | nM | 7.89 | In vitro inhibition of human placental Cytochrome P450 19A aromatase | 2016706 |
| Aromatase | IC50 | = | 13.0 | nM | 7.89 | Inhibition of human aromatase using ASD as substrate pre-incubated for 5 mins fo... | 28622580 |
| Aromatase | IC50 | = | 70.0 | nM | 7.16 | In vitro inhibition of estrogen production in hamster ovarian tissue | 2016706 |
| NON-PROTEIN TARGET | IC50 | = | 100000.0 | nM | 4.0 | In vitro inhibition of corticosterone production in rat adrenal tissue | 2016706 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2016706 | 10.1021/jm00108a013 | Aromatase | 4 |
| 2016706 | 10.1021/jm00108a013 | Steroid 17-alpha-hydroxylase/17,20 lyase | 1 |
| 2016706 | 10.1021/jm00108a013 | NON-PROTEIN TARGET | 1 |
| 2016706 | 10.1021/jm00108a013 | Cytochrome P450 11B2, mitochondrial | 1 |
| 28622580 | 10.1016/j.ejmech.2017.05.041 | Aromatase | 1 |
Data from ChEMBL 36 via Core Engine