Compound Detail
CHEMBL5876457
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Basic Information
| ChEMBL ID | CHEMBL5876457 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XYLWIKXDDAOISX-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
378.4
MW (Da)
3.26
ALogP
5
HBA
2
HBD
85.2
PSA (Ų)
0.69
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 10.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 11B2, mitochondrial CHEMBL2722 | EC50 | 10.7 | 10.7 | 0.0 | 1 |
| Cytochrome P450 11B1, mitochondrial CHEMBL1908 | EC50 | 10.44 | 10.44 | 0.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 11B2, mitochondrial | EC50 | = | 0.02 | nM | 10.7 | Inhibition Assay: G-402 cells can be obtained from ATCC (CRL-1440) and were orig... | - |
| Cytochrome P450 11B1, mitochondrial | EC50 | = | 0.036 | nM | 10.44 | Inhibition Assay: G-402 cells can be obtained from ATCC (CRL-1440) and were orig... | - |
Data from ChEMBL 36 via Core Engine