Compound Detail
CHEMBL161230
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Basic Information
| ChEMBL ID | CHEMBL161230 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IWRXOKSEHSFWNH-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
251.2
MW (Da)
1.91
ALogP
5
HBA
0
HBD
71.8
PSA (Ų)
0.70
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aromatase CHEMBL1978 | IC50 | 6.62 | 6.62 | 239.9 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aromatase | IC50 | = | 240.0 | nM | 6.62 | Inhibition of human placental microsome cytochrome P450 19A1 aromatase | 11262078 |
| Aromatase | IC50 | = | 239.88 | nM | 6.62 | Inhibition of human placental microsome CYP19 | 16279787 |
| Aromatase | IC50 | = | 240.0 | nM | 6.62 | Inhibition of human aromatase-mediated conversion of [1beta3H]androstenedione to... | 19072235 |
| Aromatase | IC50 | = | 239.88 | nM | 6.62 | Inhibition of human aromatase using ASD as substrate pre-incubated for 5 mins fo... | 28622580 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11262078 | 10.1021/jm000955s | Aromatase | 3 |
| 11262078 | 10.1021/jm000955s | Steroid 17-alpha-hydroxylase/17,20 lyase | 1 |
| 16279787 | 10.1021/jm058042r | Aromatase | 1 |
| 19072235 | 10.1021/jm800945c | Aromatase | 1 |
| 28622580 | 10.1016/j.ejmech.2017.05.041 | Aromatase | 1 |
Data from ChEMBL 36 via Core Engine