Compound Detail
CHEMBL6011019
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Cc1c(N2CC3(CN(C(=O)c4cnn(C)c4)C3)C2)cncc1N1C(=O)c2ccc(Cl)cc2[C@@H]1C
Basic Information
| ChEMBL ID | CHEMBL6011019 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AJTJAEMYULUCJC-INIZCTEOSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
477.0
MW (Da)
3.46
ALogP
6
HBA
0
HBD
74.6
PSA (Ų)
0.58
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 11B1, mitochondrial CHEMBL1908 | EC50 | 7.68 | 7.68 | 20.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 11B1, mitochondrial | EC50 | = | 20.7 | nM | 7.68 | 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