Compound Detail
CHEMBL87474
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Basic Information
| ChEMBL ID | CHEMBL87474 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZEWFPWKROPWRKE-CQOGJGKDSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
177.2
MW (Da)
-2.58
ALogP
5
HBA
5
HBD
93.0
PSA (Ų)
0.30
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tissue alpha-L-fucosidase CHEMBL3545 | Ki | 8.28 | 8.28 | 5.3 | 2 |
| Tissue alpha-L-fucosidase CHEMBL4176 | Ki | 7.1 | 7.1 | 80.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tissue alpha-L-fucosidase | Ki | = | 5.3 | nM | 8.28 | Ki value against bovine alpha-L-fucosidase | 15771446 |
| Tissue alpha-L-fucosidase | Ki | = | 5.3 | nM | 8.28 | Inhibition of bovine epididymis alpha-L-fucosidase assessed as p-nitrophenol rel... | 11858756 |
| Tissue alpha-L-fucosidase | Ki | = | 80.0 | nM | 7.1 | Inhibitory activity measured against alpha-L-fucosidase of bovine epididymis by ... | 9651160 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9651160 | 10.1021/jm970836l | Tissue alpha-L-fucosidase | 1 |
| 15771446 | 10.1021/jm0495881 | Tissue alpha-L-fucosidase | 1 |
| 11858756 | 10.1021/np010360f | Tissue alpha-L-fucosidase | 1 |
Data from ChEMBL 36 via Core Engine