Compound Detail
CHEMBL421340
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Basic Information
| ChEMBL ID | CHEMBL421340 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YKDIBSLOOWMSJH-UHFFFAOYSA-N |
1
Targets
6
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
342.4
MW (Da)
0.59
ALogP
5
HBA
5
HBD
84.8
PSA (Ų)
0.53
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas.
Ki 2 meas. best 4.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-galactosidase CHEMBL3482 | Ki | 4.68 | 4.68 | 21000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-galactosidase | Ki | = | 21000.0 | nM | 4.68 | Inhibitory activity towards Beta-galactosidase from Bovine liver | 11549453 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11549453 | 10.1016/s0960-894x(01)00477-2 | Beta-galactosidase | 6 |
| 11549453 | 10.1016/s0960-894x(01)00477-2 | Alpha-mannosidase | 4 |
| 11549453 | 10.1016/s0960-894x(01)00477-2 | Unchecked | 3 |
| 11549453 | 10.1016/s0960-894x(01)00477-2 | Beta-glucosidase | 2 |
| 11549453 | 10.1016/s0960-894x(01)00477-2 | Beta-glucosidase A | 2 |
| 11549453 | 10.1016/s0960-894x(01)00477-2 | Alpha-glucosidase | 1 |
| 11549453 | 10.1016/s0960-894x(01)00477-2 | Glucoamylase | 1 |
| 11549453 | 10.1016/s0960-894x(01)00477-2 | Glucoamylase 1 | 1 |
Data from ChEMBL 36 via Core Engine