Compound Detail
CHEMBL3966850
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Basic Information
| ChEMBL ID | CHEMBL3966850 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BVKXSMYEDPXLIT-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
268.7
MW (Da)
2.05
ALogP
3
HBA
2
HBD
66.0
PSA (Ų)
0.90
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D-amino-acid oxidase CHEMBL5485 | IC50 | 7.85 | 7.85 | 14.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D-amino-acid oxidase | IC50 | = | 14.0 | nM | 7.85 | In Vitro DAAO Enzyme Assay: Human DAAO enzyme was supplied by the Takeda Pharmac... | - |
| D-amino-acid oxidase | IC50 | = | 14.0 | nM | 7.85 | Enzyme Assay: Human DAAO enzyme was supplied by the Takeda Pharmaceutical Compan... | - |
| D-amino-acid oxidase | IC50 | = | 14.0 | nM | 7.85 | In Vitro DAAO Enzyme Assay: The functional activity of compounds inhibiting the ... | - |
| D-amino-acid oxidase | IC50 | = | 14.0 | nM | 7.85 | In Vitro Enzyme Assay: Human DAAO enzyme was supplied by the Takeda Pharmaceutic... | - |
Data from ChEMBL 36 via Core Engine