Compound Detail
CHEMBL3969148
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL3969148 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VDVDHPDLXQSFIW-UHFFFAOYSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
300.2
MW (Da)
2.16
ALogP
4
HBA
2
HBD
75.2
PSA (Ų)
0.91
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D-amino-acid oxidase CHEMBL5485 | IC50 | 8.09 | 7.778 | 8.1 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D-amino-acid oxidase | IC50 | = | 8.1 | nM | 8.09 | DAAO Inhibitory Activity Assay: The DAAO inhibitory activity was measured by ass... | - |
| D-amino-acid oxidase | IC50 | = | 20.0 | nM | 7.7 | In Vitro DAAO Enzyme Assay: Human DAAO enzyme was supplied by the Takeda Pharmac... | - |
| D-amino-acid oxidase | IC50 | = | 20.0 | nM | 7.7 | Enzyme Assay: Human DAAO enzyme was supplied by the Takeda Pharmaceutical Compan... | - |
| D-amino-acid oxidase | IC50 | = | 20.0 | nM | 7.7 | In Vitro DAAO Enzyme Assay: The functional activity of compounds inhibiting the ... | - |
| D-amino-acid oxidase | IC50 | = | 20.0 | nM | 7.7 | In Vitro Enzyme Assay: Human DAAO enzyme was supplied by the Takeda Pharmaceutic... | - |
Data from ChEMBL 36 via Core Engine