Compound Detail
CHEMBL3577322
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Basic Information
| ChEMBL ID | CHEMBL3577322 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CGGSIABUHJDMID-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
228.3
MW (Da)
2.18
ALogP
4
HBA
2
HBD
77.8
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-N-acetyl-D-hexosaminidase-A/B CHEMBL3038485 | IC50 | 4.47 | 4.47 | 34000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-N-acetyl-D-hexosaminidase-A/B | IC50 | = | 34000.0 | nM | 4.47 | Inhibition of human placental HexA using pNPGlcNAc substrate | 25984755 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25984755 | 10.1021/jm5017895 | Beta-hexosaminidase subunit alpha | 3 |
| 25984755 | 10.1021/jm5017895 | ADMET | 1 |
| 25984755 | 10.1021/jm5017895 | Beta-N-acetyl-D-hexosaminidase-A/B | 1 |
Data from ChEMBL 36 via Core Engine