Compound Detail
CHEMBL5811264
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Cn1ccnc1C(=O)N1CC2(C1)CN(c1cncc(N3C(=O)c4ccc(C#N)cc4C3(C)C)c1)C2
Basic Information
| ChEMBL ID | CHEMBL5811264 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DQWFZWCAFJPZLT-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
467.5
MW (Da)
2.54
ALogP
7
HBA
0
HBD
98.4
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 10.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 11B2, mitochondrial CHEMBL2722 | EC50 | 10.6 | 10.6 | 0.0 | 1 |
| Cytochrome P450 11B1, mitochondrial CHEMBL1908 | EC50 | 8.32 | 8.32 | 4.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 11B2, mitochondrial | EC50 | = | 0.025 | nM | 10.6 | G-402 cell line assay: Herein we identified the use of the G-402 cell line as a ... | - |
| Cytochrome P450 11B1, mitochondrial | EC50 | = | 4.76 | nM | 8.32 | 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