Compound Detail
CHEMBL3219070
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Basic Information
| ChEMBL ID | CHEMBL3219070 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MEVTUOOQDMUAME-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
275.3
MW (Da)
2.93
ALogP
3
HBA
1
HBD
50.7
PSA (Ų)
0.57
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aromatase CHEMBL1978 | IC50 | 7.84 | 7.84 | 14.4 | 1 |
| Cytochrome P450 11B1, mitochondrial CHEMBL1908 | IC50 | 7.67 | 7.67 | 21.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aromatase | IC50 | = | 14.4 | nM | 7.84 | Inhibition of CYP19 isolated from microsomal fraction of human term placental ti... | - |
| Cytochrome P450 11B1, mitochondrial | IC50 | = | 21.2 | nM | 7.67 | Inhibition of CYP11B1 (unknown origin) expressed in Chinese hamster V79MZ cells ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C2MD20072D | Cytochrome P450 11B1, mitochondrial | 2 |
| - | 10.1039/C2MD20072D | Cytochrome P450 11B2, mitochondrial | 2 |
| - | 10.1039/C2MD20072D | Aromatase | 2 |
| - | 10.1039/C2MD20072D | Steroid 17-alpha-hydroxylase/17,20 lyase | 1 |
Data from ChEMBL 36 via Core Engine