Compound Detail
CHEMBL2375519
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Basic Information
| ChEMBL ID | CHEMBL2375519 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CUCMYHOPTSUPIM-UHFFFAOYSA-N |
1
Targets
6
Activities
3
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
255.3
MW (Da)
3.24
ALogP
2
HBA
2
HBD
66.2
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 4 meas. best 5.5
IC50 1 meas. best 6.66
Ki 1 meas. best 6.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D-amino-acid oxidase CHEMBL5485 | Ki | 6.72 | 6.72 | 190.0 | 1 |
| D-amino-acid oxidase CHEMBL5485 | IC50 | 6.66 | 6.66 | 218.8 | 1 |
| D-amino-acid oxidase CHEMBL5485 | Kd | 5.5 | 5.3675 | 3200.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D-amino-acid oxidase | Ki | = | 190.0 | nM | 6.72 | Competitive inhibition of human recombinant DAAO by Michaelis-Menten plot analys... | 23631755 |
| D-amino-acid oxidase | IC50 | = | 218.78 | nM | 6.66 | Competitive inhibition of human recombinant DAAO after 1 hr by coupled enzyme as... | 23631755 |
| D-amino-acid oxidase | Kd | = | 3200.0 | nM | 5.5 | Binding affinity to human recombinant DAAO at 600 nm spectral modification by sp... | 23631755 |
| D-amino-acid oxidase | Kd | = | 3700.0 | nM | 5.43 | Binding affinity to human recombinant DAAO at 492 nm spectral modification by sp... | 23631755 |
| D-amino-acid oxidase | Kd | = | 4800.0 | nM | 5.32 | Binding affinity to human recombinant DAAO at 440 nm spectral modification by sp... | 23631755 |
| D-amino-acid oxidase | Kd | = | 6000.0 | nM | 5.22 | Binding affinity to human recombinant DAAO by stopped flow spectrophotometric an... | 23631755 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23631755 | 10.1021/jm4002583 | D-amino-acid oxidase | 6 |
Data from ChEMBL 36 via Core Engine