Compound Detail
CHEMBL6006147
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CCS(=O)(=O)N1CC2(CC(Cc3c[nH]nc3-c3ccc4c(c3Cl)CCC(=O)N4C)C2)C1
Basic Information
| ChEMBL ID | CHEMBL6006147 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MXFNLDBICZLXTK-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
463.0
MW (Da)
3.24
ALogP
4
HBA
1
HBD
86.4
PSA (Ų)
0.74
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 9.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 11B1, mitochondrial CHEMBL1908 | EC50 | 9.67 | 9.67 | 0.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 11B1, mitochondrial | EC50 | = | 0.215 | nM | 9.67 | Inhibition Assay: The expression plasmids contains the ORF for either human/cyno... | - |
Data from ChEMBL 36 via Core Engine