Compound Detail
CHEMBL5867538
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CN1C(=O)CCc2c1ccc(-c1n[nH]cc1CC1CC3(C1)CN(C(=O)c1cnn(C)c1)C3)c2Cl
Basic Information
| ChEMBL ID | CHEMBL5867538 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PFEXLJYVCIXOLE-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
479.0
MW (Da)
3.47
ALogP
5
HBA
1
HBD
87.1
PSA (Ų)
0.62
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 10.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 11B2, mitochondrial CHEMBL2722 | EC50 | 10.42 | 10.42 | 0.0 | 1 |
| Cytochrome P450 11B1, mitochondrial CHEMBL1908 | EC50 | 8.14 | 8.14 | 7.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 11B2, mitochondrial | EC50 | = | 0.038 | nM | 10.42 | Inhibition Assay: The expression plasmids contains the ORF for either human/cyno... | - |
| Cytochrome P450 11B1, mitochondrial | EC50 | = | 7.29 | nM | 8.14 | Inhibition Assay: The expression plasmids contains the ORF for either human/cyno... | - |
Data from ChEMBL 36 via Core Engine