Compound Detail
CHEMBL3902519
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Basic Information
| ChEMBL ID | CHEMBL3902519 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GCLKCCAODUKHIJ-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
414.4
MW (Da)
4.05
ALogP
5
HBA
0
HBD
68.2
PSA (Ų)
0.64
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 9.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 11B2, mitochondrial CHEMBL2722 | EC50 | 9.52 | 9.52 | 0.3 | 2 |
| Cytochrome P450 11B1, mitochondrial CHEMBL1908 | EC50 | 7.91 | 7.91 | 12.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 11B2, mitochondrial | EC50 | = | 0.3 | nM | 9.52 | G402-Based Assay: Herein we identified the use of the G-402 cell line as a host ... | - |
| Cytochrome P450 11B2, mitochondrial | EC50 | = | 0.3 | nM | 9.52 | G402-Based Assay: Herein we identified the use of the G-402 cell line as a host ... | - |
| Cytochrome P450 11B1, mitochondrial | EC50 | = | 12.3 | nM | 7.91 | G402-Based Assay: Herein we identified the use of the G-402 cell line as a host ... | - |
Data from ChEMBL 36 via Core Engine