Compound Detail
CHEMBL3397597
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Basic Information
| ChEMBL ID | CHEMBL3397597 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GFBAAMCNXBMJKQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
226.2
MW (Da)
2.08
ALogP
3
HBA
1
HBD
51.2
PSA (Ų)
0.81
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 11B2, mitochondrial CHEMBL2722 | IC50 | 7.39 | 7.39 | 41.0 | 1 |
| Cytochrome P450 11B1, mitochondrial CHEMBL1908 | IC50 | 5.88 | 5.88 | 1312.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 11B2, mitochondrial | IC50 | = | 41.0 | nM | 7.39 | Inhibition of CYP11B2 in human V79MZ cells using [3H]-11-deoxycorticosterone as ... | 25528333 |
| Cytochrome P450 11B1, mitochondrial | IC50 | = | 1312.0 | nM | 5.88 | Inhibition of CYP11B1 in human V79MZ cells using [3H]-11-deoxycorticosterone as ... | 25528333 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25528333 | 10.1016/j.ejmech.2014.12.022 | Cytochrome P450 11B2, mitochondrial | 2 |
| 25528333 | 10.1016/j.ejmech.2014.12.022 | Cytochrome P450 11B1, mitochondrial | 1 |
| 25528333 | 10.1016/j.ejmech.2014.12.022 | Unchecked | 1 |
| 25528333 | 10.1016/j.ejmech.2014.12.022 | Steroid 17-alpha-hydroxylase/17,20 lyase | 1 |
| 25528333 | 10.1016/j.ejmech.2014.12.022 | Aromatase | 1 |
Data from ChEMBL 36 via Core Engine