Compound Detail
CHEMBL190634
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Basic Information
| ChEMBL ID | CHEMBL190634 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WHMUBFWFVIHUPX-WTUNAVPPSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
248.3
MW (Da)
-0.04
ALogP
4
HBA
4
HBD
64.5
PSA (Ų)
0.61
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.77
Ki 1 meas. best 5.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-mannosidase CHEMBL4193 | Ki | 5.64 | 5.64 | 2300.0 | 1 |
| Alpha-mannosidase CHEMBL4193 | IC50 | 4.77 | 4.77 | 17000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-mannosidase | Ki | = | 2300.0 | nM | 5.64 | Binding affinity towards alpha-Mannosidase isolated from Jack bean | 15974577 |
| Alpha-mannosidase | IC50 | = | 17000.0 | nM | 4.77 | Concentration of compound inhibiting alpha-Mannosidase isolated from Jack bean | 15974577 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15974577 | 10.1021/jm0409019 | Alpha-mannosidase | 2 |
Data from ChEMBL 36 via Core Engine