Compound Detail
CHEMBL5857114
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Basic Information
| ChEMBL ID | CHEMBL5857114 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XXIYFKRUYFAEBX-XFXZXTDPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
333.4
MW (Da)
1.50
ALogP
6
HBA
2
HBD
89.3
PSA (Ų)
0.83
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [copper-containing] 3 CHEMBL3437 | IC50 | 9.05 | 9.05 | 0.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [copper-containing] 3 | IC50 | = | 0.9 | nM | 9.05 | Enzyme Activity Assay: The inhibition of the sample on VAP-enzyme activity was m... | - |
Data from ChEMBL 36 via Core Engine