Compound Detail
CHEMBL3287179
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Basic Information
| ChEMBL ID | CHEMBL3287179 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KMPBWZLPWZAVKH-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
1
PK Parameters
11
Publications
0
Known Names
Molecular Properties
302.4
MW (Da)
4.20
ALogP
2
HBA
0
HBD
33.2
PSA (Ų)
0.71
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 11B2, mitochondrial CHEMBL2722 | IC50 | 8.55 | 8.55 | 2.8 | 2 |
| Cytochrome P450 11B1, mitochondrial CHEMBL1908 | IC50 | 6.29 | 6.29 | 516.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.25 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 11B2, mitochondrial | IC50 | = | 2.8 | nM | 8.55 | Inhibition of human CYP11B2 expressed in hamster V79MZh cells using deoxycortico... | 24899257 |
| Cytochrome P450 11B2, mitochondrial | IC50 | = | 2.8 | nM | 8.55 | HTRF-Based Assay : V79 cell lines stably expressing the either the human CYP11B2... | - |
| Cytochrome P450 11B1, mitochondrial | IC50 | = | 516.0 | nM | 6.29 | Inhibition of human CYP11B1 expressed in hamster V79MZh cells using deoxycortico... | 24899257 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24899257 | 10.1021/jm500140c | Cytochrome P450 11B2, mitochondrial | 2 |
| 24899257 | 10.1021/jm500140c | Cytochrome P450 11B1, mitochondrial | 2 |
| 24899257 | 10.1021/jm500140c | Liver microsome | 2 |
| 24899257 | 10.1021/jm500140c | Unchecked | 1 |
| 24899257 | 10.1021/jm500140c | Steroid 17-alpha-hydroxylase/17,20 lyase | 1 |
| 24899257 | 10.1021/jm500140c | Aromatase | 1 |
| 24899257 | 10.1021/jm500140c | Cytochrome P450 1A2 | 1 |
| 24899257 | 10.1021/jm500140c | Cytochrome P450 2C9 | 1 |
| 24899257 | 10.1021/jm500140c | Cytochrome P450 2C19 | 1 |
| 24899257 | 10.1021/jm500140c | Cytochrome P450 2D6 | 1 |
| 24899257 | 10.1021/jm500140c | Cytochrome P450 3A4 | 1 |
Data from ChEMBL 36 via Core Engine