Compound Detail
CHEMBL2011244
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 | CHEMBL2011244 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DSMQGRPUCULHMD-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
253.3
MW (Da)
3.13
ALogP
3
HBA
0
HBD
30.7
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 11B1, mitochondrial CHEMBL1908 | IC50 | 7.14 | 7.14 | 72.0 | 2 |
| Cytochrome P450 11B2, mitochondrial CHEMBL2722 | IC50 | 5.76 | 5.76 | 1736.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 11B1, mitochondrial | IC50 | = | 72.0 | nM | 7.14 | Inhibition of human CYP11B1 expressed in hamster V79 MZ cells using [3H] 11 deox... | 24900349 |
| Cytochrome P450 11B1, mitochondrial | IC50 | = | 72.0 | nM | 7.14 | Cellular Inhibition Assay: V79MZ cells expressing human CYP11B1 and human CYP11B... | - |
| Cytochrome P450 11B2, mitochondrial | IC50 | = | 1736.0 | nM | 5.76 | Inhibition of human CYP11B2 expressed in hamster V79 MZ cells using [3H] 11 deox... | 24900349 |
| Cytochrome P450 11B2, mitochondrial | IC50 | = | 1736.0 | nM | 5.76 | Cellular Inhibition Assay: V79MZ cells expressing human CYP11B1 and human CYP11B... | - |
| Cytochrome P450 11B2, mitochondrial | IC50 | = | 1736.0 | nM | 5.76 | Cellular Inhibition Assay: V79MZ cells expressing human CYP11B1 and human CYP11B... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900349 | 10.1021/ml100283h | Cytochrome P450 11B1, mitochondrial | 1 |
| 24900349 | 10.1021/ml100283h | Cytochrome P450 11B2, mitochondrial | 1 |
| 24900349 | 10.1021/ml100283h | Unchecked | 1 |
| 24900349 | 10.1021/ml100283h | Steroid 17-alpha-hydroxylase/17,20 lyase | 1 |
| 24900349 | 10.1021/ml100283h | Aromatase | 1 |
Data from ChEMBL 36 via Core Engine