Compound Detail
CHEMBL212168
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Basic Information
| ChEMBL ID | CHEMBL212168 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DTEZOESXMOWJRN-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
377.4
MW (Da)
3.62
ALogP
7
HBA
0
HBD
100.4
PSA (Ų)
0.39
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aromatase CHEMBL1978 | IC50 | 6.33 | 6.33 | 467.7 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aromatase | IC50 | = | 467.74 | nM | 6.33 | Inhibition of CYP19 | 16854084 |
| Aromatase | IC50 | = | 470.0 | nM | 6.33 | Inhibition of CYP19 | 16854084 |
| Aromatase | IC50 | = | 470.0 | nM | 6.33 | Inhibition of human aromatase-mediated conversion of [1beta3H]androstenedione to... | 19072235 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16854084 | 10.1021/jm060186y | Aromatase | 2 |
| 18763754 | 10.1021/jm800683c | Cytochrome P450 11B2, mitochondrial | 2 |
| 16854084 | 10.1021/jm060186y | Steroid 17-alpha-hydroxylase/17,20 lyase | 1 |
| 19072235 | 10.1021/jm800945c | Aromatase | 1 |
| 18763754 | 10.1021/jm800683c | Cytochrome P450 11B1, mitochondrial | 1 |
Data from ChEMBL 36 via Core Engine