Compound Detail
CHEMBL4476839
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 | CHEMBL4476839 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XFEVUYIVNQYKSO-IECVIRLLSA-N |
2
Targets
2
Activities
2
Assay Types
5
PK Parameters
3
Publications
0
Known Names
Molecular Properties
238.3
MW (Da)
0.07
ALogP
5
HBA
2
HBD
53.9
PSA (Ų)
0.68
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.48
Ki 1 meas. best 7.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein O-GlcNAcase CHEMBL5921 | Ki | 7.46 | 7.46 | 35.0 | 1 |
| Protein O-GlcNAcase CHEMBL3351213 | EC50 | 6.48 | 6.48 | 328.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 14.4 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 60.5 | % | Rattus norvegicus |
| Fu | 0.99 | - | Homo sapiens |
| Fu | 0.99 | - | Rattus norvegicus |
| T1/2 | 1.18 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein O-GlcNAcase | Ki | = | 35.0 | nM | 7.46 | Inhibition of recombinant human OGA | 31487175 |
| Protein O-GlcNAcase | EC50 | = | 328.0 | nM | 6.48 | Inhibition of OGA in rat PC12 cells assessed as OGlcNAcylated protein level incu... | 31487175 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31487175 | 10.1021/acs.jmedchem.9b01090 | ADMET | 8 |
| 31487175 | 10.1021/acs.jmedchem.9b01090 | Protein O-GlcNAcase | 2 |
| 31487175 | 10.1021/acs.jmedchem.9b01090 | Beta-hexosaminidase subunit beta | 1 |
Data from ChEMBL 36 via Core Engine