Compound Detail
CHEMBL5971205
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Cc1ncc(Cl)c(C(=O)N2CC3(C2)CN(c2cncc(N4C(=O)c5ccc(Cl)cc5C4(C)C)c2)C3)n1
Basic Information
| ChEMBL ID | CHEMBL5971205 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SVHIKXPITBDLNM-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
523.4
MW (Da)
4.34
ALogP
6
HBA
0
HBD
82.5
PSA (Ų)
0.51
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 11B2, mitochondrial CHEMBL2722 | EC50 | 9.3 | 9.3 | 0.5 | 1 |
| Cytochrome P450 11B1, mitochondrial CHEMBL1908 | EC50 | 8.08 | 8.08 | 8.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 11B2, mitochondrial | EC50 | = | 0.504 | nM | 9.3 | G-402 cell line assay: Herein we identified the use of the G-402 cell line as a ... | - |
| Cytochrome P450 11B1, mitochondrial | EC50 | = | 8.31 | nM | 8.08 | G-402 cell line assay: Herein we identified the use of the G-402 cell line as a ... | - |
Data from ChEMBL 36 via Core Engine