Compound Detail
CHEMBL3899415
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Basic Information
| ChEMBL ID | CHEMBL3899415 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CQHIXZQMGXKOGC-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
236.2
MW (Da)
1.19
ALogP
4
HBA
2
HBD
75.2
PSA (Ų)
0.84
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D-amino-acid oxidase CHEMBL5485 | IC50 | 8.64 | 8.39 | 2.3 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D-amino-acid oxidase | IC50 | = | 2.3 | nM | 8.64 | Inhibition Assay: The DAAO inhibitory activity was measured by assaying the amou... | - |
| D-amino-acid oxidase | IC50 | = | 2.3 | nM | 8.64 | DAAO Inhibitory Activity Assay: The DAAO inhibitory activity was measured by ass... | - |
| D-amino-acid oxidase | IC50 | = | 13.0 | nM | 7.89 | Inhibition Assay: This test was performed by partially modifying the method of P... | - |
Data from ChEMBL 36 via Core Engine