Compound Detail
CHEMBL3415173
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 | CHEMBL3415173 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MQHYBBKWHVWRSQ-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
312.3
MW (Da)
3.32
ALogP
4
HBA
0
HBD
43.6
PSA (Ų)
0.69
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 11B2, mitochondrial CHEMBL2722 | IC50 | 8.22 | 8.05 | 6.0 | 3 |
| Cytochrome P450 11B1, mitochondrial CHEMBL1908 | IC50 | 5.85 | 5.595 | 1424.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 11B2, mitochondrial | IC50 | = | 6.0 | nM | 8.22 | Inhbition Assay: Compounds of the Examples 1 to 3 were assayed for V79-Human-CYP... | - |
| Cytochrome P450 11B2, mitochondrial | IC50 | = | 6.0 | nM | 8.22 | Inhbition Assay: Compounds of the Examples 1 to 3 were assayed for V79-Human-CYP... | - |
| Cytochrome P450 11B2, mitochondrial | IC50 | = | 19.5 | nM | 7.71 | Inhibition of human CYP11B2 expressed in V79 MZh cells using [14C]-deoxycorticos... | 25711516 |
| Cytochrome P450 11B1, mitochondrial | IC50 | = | 1424.0 | nM | 5.85 | Inhbition Assay: Compounds of the Examples 1 to 3 were assayed for V79-Human-CYP... | - |
| Cytochrome P450 11B1, mitochondrial | IC50 | = | 4520.0 | nM | 5.34 | Inhibition of human CYP11B1 expressed in V79 MZh cells using [14C]-deoxycorticos... | 25711516 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25711516 | 10.1021/acs.jmedchem.5b00079 | Cytochrome P450 11B2, mitochondrial | 1 |
| 25711516 | 10.1021/acs.jmedchem.5b00079 | Cytochrome P450 11B1, mitochondrial | 1 |
| 25711516 | 10.1021/acs.jmedchem.5b00079 | Unchecked | 1 |
| 25711516 | 10.1021/acs.jmedchem.5b00079 | Aromatase | 1 |
| 25711516 | 10.1021/acs.jmedchem.5b00079 | Steroid 17-alpha-hydroxylase/17,20 lyase | 1 |
Data from ChEMBL 36 via Core Engine