Compound Detail
CHEMBL6047330
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Basic Information
| ChEMBL ID | CHEMBL6047330 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PETWFYVNYMPWJW-PKOBYXMFSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
364.5
MW (Da)
2.42
ALogP
5
HBA
3
HBD
96.4
PSA (Ų)
0.39
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leucyl-cystinyl aminopeptidase CHEMBL3712 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
| Leucyl-cystinyl aminopeptidase CHEMBL2693 | IC50 | 7.08 | 7.08 | 84.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leucyl-cystinyl aminopeptidase | IC50 | = | 20.0 | nM | 7.7 | Inhibition Assay: The inventors have assumed that inhibition of nocturnal activi... | - |
| Leucyl-cystinyl aminopeptidase | IC50 | = | 84.0 | nM | 7.08 | Inhibition Assay: The inventors have assumed that inhibition of nocturnal activi... | - |
Data from ChEMBL 36 via Core Engine