Compound Detail
CHEMBL84104
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 | CHEMBL84104 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SXQQUIDMNYCBEU-UHFFFAOYSA-N |
1
Targets
5
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
222.3
MW (Da)
-0.53
ALogP
4
HBA
4
HBD
64.5
PSA (Ų)
0.55
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.22
Ki 2 meas. best 5.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-mannosidase CHEMBL4193 | Ki | 5.13 | 4.64 | 7400.0 | 2 |
| Alpha-mannosidase CHEMBL4193 | IC50 | 4.22 | 4.22 | 60000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-mannosidase | Ki | = | 7400.0 | nM | 5.13 | Inhibitory activity towards Alpha-mannosidase from Jack bean | 11549453 |
| Alpha-mannosidase | IC50 | = | 60000.0 | nM | 4.22 | Inhibitory activity towards Alpha-mannosidase from Jack bean | 11549453 |
| Alpha-mannosidase | Ki | = | 71000.0 | nM | 4.15 | Inhibitory activity towards Alpha-mannosidase from Almond | 11549453 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11549453 | 10.1016/s0960-894x(01)00477-2 | Alpha-mannosidase | 6 |
| 11549453 | 10.1016/s0960-894x(01)00477-2 | Beta-galactosidase | 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 | Alpha-glucosidase | 1 |
| 11549453 | 10.1016/s0960-894x(01)00477-2 | Glucoamylase | 1 |
| 11549453 | 10.1016/s0960-894x(01)00477-2 | Glucoamylase 1 | 1 |
| 11549453 | 10.1016/s0960-894x(01)00477-2 | Beta-glucosidase A | 1 |
Data from ChEMBL 36 via Core Engine