Compound Detail
CHEMBL5194500
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 | CHEMBL5194500 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WOQHXCRNXSUHIJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
5
PK Parameters
2
Publications
0
Known Names
Molecular Properties
168.2
MW (Da)
0.28
ALogP
3
HBA
2
HBD
65.7
PSA (Ų)
0.55
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D-amino-acid oxidase CHEMBL5485 | IC50 | 6.92 | 6.92 | 120.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 1.8 | mL.min-1.kg-1 | Mus musculus |
| F | 34.0 | % | Mus musculus |
| Fu | 0.0026 | - | Mus musculus |
| Fu | 0.22 | - | Mus musculus |
| T1/2 | 1.2 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D-amino-acid oxidase | IC50 | = | 120.0 | nM | 6.92 | Inhibition of recombinant full length human DAO preincubated with compound for 2... | 35482677 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35482677 | 10.1021/acs.jmedchem.2c00118 | ADMET | 11 |
| 35482677 | 10.1021/acs.jmedchem.2c00118 | D-amino-acid oxidase | 1 |
Data from ChEMBL 36 via Core Engine