Compound Detail
CHEMBL1235146
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL1235146 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DLYMRVCQTVOYEW-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
234.3
MW (Da)
3.60
ALogP
2
HBA
0
HBD
17.8
PSA (Ų)
0.68
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 11B1, mitochondrial CHEMBL1908 | IC50 | 7.5 | 7.5 | 32.0 | 1 |
| Cytochrome P450 11B2, mitochondrial CHEMBL2722 | IC50 | 6.2 | 6.2 | 637.0 | 1 |
| Steroid 17-alpha-hydroxylase/17,20 lyase CHEMBL3522 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 11B1, mitochondrial | IC50 | = | 32.0 | nM | 7.5 | Inhibition of human CYP11B1 expressed in hamster V79MZ cells using 11-deoxycorti... | 24900247 |
| Cytochrome P450 11B2, mitochondrial | IC50 | = | 637.0 | nM | 6.2 | Inhibition of human CYP11B2 expressed in hamster V79MZ cells using 11-deoxycorti... | 24900247 |
| Steroid 17-alpha-hydroxylase/17,20 lyase | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of human testicular microsome CYP17 | 37191389 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900247 | 10.1021/ml100071j | Aromatase | 1 |
| 24900247 | 10.1021/ml100071j | Unchecked | 1 |
| 24900247 | 10.1021/ml100071j | Cytochrome P450 11B1, mitochondrial | 1 |
| 24900247 | 10.1021/ml100071j | Steroid 17-alpha-hydroxylase/17,20 lyase | 1 |
| 24900247 | 10.1021/ml100071j | Cytochrome P450 11B2, mitochondrial | 1 |
| 37191389 | 10.1021/acs.jmedchem.3c00442 | Steroid 17-alpha-hydroxylase/17,20 lyase | 1 |
Data from ChEMBL 36 via Core Engine