Compound Detail
CHEMBL2333334
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Basic Information
| ChEMBL ID | CHEMBL2333334 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NKWUYAGAAIUZCU-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
346.4
MW (Da)
3.98
ALogP
5
HBA
0
HBD
57.3
PSA (Ų)
0.51
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 11B1, mitochondrial CHEMBL1908 | IC50 | 8.26 | 8.26 | 5.5 | 1 |
| Cytochrome P450 11B2, mitochondrial CHEMBL2722 | IC50 | 7.62 | 7.62 | 24.1 | 1 |
| Aromatase CHEMBL1978 | IC50 | 6.25 | 6.25 | 565.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 11B1, mitochondrial | IC50 | = | 5.5 | nM | 8.26 | Inhibition of human CYP11B1 expressed in hamster V79MZh cells using [1,2-3H]-11-... | 23363058 |
| Cytochrome P450 11B2, mitochondrial | IC50 | = | 24.1 | nM | 7.62 | Inhibition of human CYP11B2 expressed in hamster V79MZh cells using [1,2-3H]-11-... | 23363058 |
| Aromatase | IC50 | = | 565.0 | nM | 6.25 | Inhibition of human placental CYP19 using [1beta-3H]androstenedione as substrate... | 23363058 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23363058 | 10.1021/jm301844q | Unchecked | 2 |
| 23363058 | 10.1021/jm301844q | Aromatase | 1 |
| 23363058 | 10.1021/jm301844q | Steroid 17-alpha-hydroxylase/17,20 lyase | 1 |
| 23363058 | 10.1021/jm301844q | Cytochrome P450 11B2, mitochondrial | 1 |
| 23363058 | 10.1021/jm301844q | Cytochrome P450 11B1, mitochondrial | 1 |
Data from ChEMBL 36 via Core Engine