Compound Detail
CHEMBL3897971
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Basic Information
| ChEMBL ID | CHEMBL3897971 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KZFUVJOWYFCJRT-DPPDCLLRSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
344.5
MW (Da)
2.00
ALogP
5
HBA
3
HBD
76.3
PSA (Ų)
0.53
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.0 | 5.1 | 1000.0 | 2 |
| Beta-galactosidase CHEMBL3482 | IC50 | 4.03 | 4.03 | 93000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of human lysosomal beta-glucosidase using 4-methylumbelliferyl-beta-D... | 27789075 |
| Unchecked | IC50 | = | 63000.0 | nM | 4.2 | Inhibition of bovine liver beta-glucosidase using p-nitrophenyl-glycoside as sub... | 27789075 |
| Beta-galactosidase | IC50 | = | 93000.0 | nM | 4.03 | Inhibition of bovine liver beta-galactosidase using p-nitrophenyl-glycoside as s... | 27789075 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27789075 | 10.1016/j.bmc.2016.10.015 | Unchecked | 8 |
| 27789075 | 10.1016/j.bmc.2016.10.015 | Beta-galactosidase | 1 |
| 27789075 | 10.1016/j.bmc.2016.10.015 | Tissue alpha-L-fucosidase | 1 |
| 27789075 | 10.1016/j.bmc.2016.10.015 | Uncharacterized protein | 1 |
Data from ChEMBL 36 via Core Engine