Compound Detail
CHEMBL3900453
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Basic Information
| ChEMBL ID | CHEMBL3900453 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AMMUBPAJIPQYPI-VOTSOKGWSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
214.2
MW (Da)
1.65
ALogP
3
HBA
2
HBD
66.0
PSA (Ų)
0.80
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D-amino-acid oxidase CHEMBL5485 | IC50 | 8.62 | 8.52 | 2.4 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D-amino-acid oxidase | IC50 | = | 2.4 | nM | 8.62 | Inhibition Assay: This test was performed by partially modifying the method of P... | - |
| D-amino-acid oxidase | IC50 | = | 3.8 | nM | 8.42 | Inhibition Assay: The DAAO inhibitory activity was measured by assaying the amou... | - |
Data from ChEMBL 36 via Core Engine