Compound Detail
CHEMBL190418
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Basic Information
| ChEMBL ID | CHEMBL190418 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DJYLNBQRSVBZCR-ZZQCPNMFSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
360.4
MW (Da)
1.37
ALogP
5
HBA
4
HBD
73.8
PSA (Ų)
0.57
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-mannosidase CHEMBL4193 | IC50 | 5.16 | 4.84 | 7000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-mannosidase | IC50 | = | 7000.0 | nM | 5.16 | Concentration of compound inhibiting alpha-Mannosidase isolated from Jack bean | 15974577 |
| Alpha-mannosidase | IC50 | = | 30000.0 | nM | 4.52 | Concentration of compound inhibiting alpha-Mannosidase isolated from Jack bean | 15974577 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15974577 | 10.1021/jm0409019 | NON-PROTEIN TARGET | 18 |
| 15974577 | 10.1021/jm0409019 | Alpha-mannosidase | 5 |
Data from ChEMBL 36 via Core Engine