Compound Detail
CHEMBL3913880
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Basic Information
| ChEMBL ID | CHEMBL3913880 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PFIALLISCVNALC-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
244.3
MW (Da)
2.04
ALogP
3
HBA
2
HBD
66.0
PSA (Ų)
0.79
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D-amino-acid oxidase CHEMBL5485 | IC50 | 8.6 | 8.3867 | 2.5 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D-amino-acid oxidase | IC50 | = | 2.5 | nM | 8.6 | Inhibition Assay: The DAAO inhibitory activity was measured by assaying the amou... | - |
| D-amino-acid oxidase | IC50 | = | 2.5 | nM | 8.6 | DAAO Inhibitory Activity Assay: The DAAO inhibitory activity was measured by ass... | - |
| D-amino-acid oxidase | IC50 | = | 11.0 | nM | 7.96 | Inhibition Assay: This test was performed by partially modifying the method of P... | - |
Data from ChEMBL 36 via Core Engine