Compound Detail
CHEMBL2206821
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Basic Information
| ChEMBL ID | CHEMBL2206821 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YGVFJBBOHDKSJL-FUMNGEBKSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
376.4
MW (Da)
1.20
ALogP
6
HBA
4
HBD
83.0
PSA (Ų)
0.39
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.36
IC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase CHEMBL2308 | Ki | 6.36 | 6.36 | 440.0 | 1 |
| Alpha-mannosidase 2 CHEMBL4056 | Ki | 5.19 | 5.19 | 6470.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase | Ki | = | 440.0 | nM | 6.36 | Inhibition of human ER alpha mannosidase 1 | 23151473 |
| Alpha-mannosidase 2 | Ki | = | 6470.0 | nM | 5.19 | Inhibition of human golgi alpha mannosidase 2 | 23151473 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23151473 | 10.1016/j.bmc.2012.10.011 | Unchecked | 3 |
| 23151473 | 10.1016/j.bmc.2012.10.011 | Alpha-mannosidase 2 | 1 |
| 23151473 | 10.1016/j.bmc.2012.10.011 | Endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase | 1 |
Data from ChEMBL 36 via Core Engine