Compound Detail
CHEMBL5817118
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COc1ccc2c(n1)C(C)(C)N(c1cncc(N3CC4(CN(C(=O)c5cnn(C)c5)C4)C3)c1)C2=O
Basic Information
| ChEMBL ID | CHEMBL5817118 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QWRJEEIGDZSZNX-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
473.5
MW (Da)
2.08
ALogP
8
HBA
0
HBD
96.7
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 10.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 11B2, mitochondrial CHEMBL2722 | EC50 | 10.68 | 10.68 | 0.0 | 1 |
| Cytochrome P450 11B1, mitochondrial CHEMBL1908 | EC50 | 7.72 | 7.72 | 18.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 11B2, mitochondrial | EC50 | = | 0.021 | nM | 10.68 | G-402 cell line assay: Herein we identified the use of the G-402 cell line as a ... | - |
| Cytochrome P450 11B1, mitochondrial | EC50 | = | 18.9 | nM | 7.72 | 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