Compound Detail
CHEMBL212473
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Basic Information
| ChEMBL ID | CHEMBL212473 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GMZSVBKZQWIFKJ-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
332.4
MW (Da)
3.71
ALogP
5
HBA
0
HBD
57.3
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 11B1, mitochondrial CHEMBL1908 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
| Cytochrome P450 11B2, mitochondrial CHEMBL2722 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
| Aromatase CHEMBL1978 | IC50 | 7.1 | 7.1 | 79.4 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 11B1, mitochondrial | IC50 | = | 7.0 | nM | 8.15 | Inhibition of human adrenal corticoid CYP11B1 expressed in chinese hamster V79 M... | 18763754 |
| Cytochrome P450 11B2, mitochondrial | IC50 | = | 11.0 | nM | 7.96 | Inhibition of human adrenal corticoid CYP11B2 expressed in chinese hamster V79 M... | 18763754 |
| Aromatase | IC50 | = | 79.43 | nM | 7.1 | Inhibition of CYP19 | 16854084 |
| Aromatase | IC50 | = | 80.0 | nM | 7.1 | Inhibition of CYP19 | 16854084 |
| Aromatase | IC50 | = | 80.0 | nM | 7.1 | 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 |
| 18763754 | 10.1021/jm800683c | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine