Compound Detail
CHEMBL365735
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Basic Information
| ChEMBL ID | CHEMBL365735 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JVWGLICJXUMGHN-UHFFFAOYSA-N |
4
Targets
22
Activities
1
Assay Types
0
PK Parameters
19
Publications
0
Known Names
Molecular Properties
205.3
MW (Da)
3.90
ALogP
1
HBA
0
HBD
12.9
PSA (Ų)
0.59
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 22 meas. best 7.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 11B2, mitochondrial CHEMBL2722 | IC50 | 7.55 | 7.1117 | 28.0 | 12 |
| Cytochrome P450 11B1, mitochondrial CHEMBL1908 | IC50 | 5.62 | 5.4033 | 2395.0 | 6 |
| Steroid 17-alpha-hydroxylase/17,20 lyase CHEMBL3522 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
| Aromatase CHEMBL1978 | IC50 | 5.24 | 5.24 | 5700.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16220979 | 10.1021/jm0503704 | Cytochrome P450 11B2, mitochondrial | 3 |
| 18763754 | 10.1021/jm800683c | Cytochrome P450 11B2, mitochondrial | 2 |
| 19049427 | 10.1021/jm800888q | Cytochrome P450 1A2 | 2 |
| 18763754 | 10.1021/jm800683c | Unchecked | 1 |
| 23859149 | 10.1021/jm400484p | Unchecked | 1 |
| 23859149 | 10.1021/jm400484p | Aromatase | 1 |
| 23859149 | 10.1021/jm400484p | Steroid 17-alpha-hydroxylase/17,20 lyase | 1 |
| 23859149 | 10.1021/jm400484p | Cytochrome P450 11B2, mitochondrial | 1 |
| 23859149 | 10.1021/jm400484p | Cytochrome P450 11B1, mitochondrial | 1 |
| 23859149 | 10.1021/jm400484p | Cytochrome P450 3A4 | 1 |
| 19049427 | 10.1021/jm800888q | Aromatase | 1 |
| 19049427 | 10.1021/jm800888q | Steroid 17-alpha-hydroxylase/17,20 lyase | 1 |
| 18763754 | 10.1021/jm800683c | Cytochrome P450 11B1, mitochondrial | 1 |
| 16220979 | 10.1021/jm0503704 | Caco-2 | 1 |
| 16220979 | 10.1021/jm0503704 | No relevant target | 1 |
| 16220979 | 10.1021/jm0503704 | Unchecked | 1 |
| 16220979 | 10.1021/jm0503704 | Aromatase | 1 |
| 16220979 | 10.1021/jm0503704 | Steroid 17-alpha-hydroxylase/17,20 lyase | 1 |
| 16220979 | 10.1021/jm0503704 | Cytochrome P450 11B1, mitochondrial | 1 |
Data from ChEMBL 36 via Core Engine