Compound Detail
CHEMBL3359676
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Basic Information
| ChEMBL ID | CHEMBL3359676 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TZWAZIKJYVGDON-FXNBZEQJSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
274.4
MW (Da)
-0.60
ALogP
5
HBA
5
HBD
105.3
PSA (Ų)
0.44
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.66
Ki 1 meas. best 8.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-galactosidase CHEMBL3308986 | Ki | 8.11 | 8.11 | 7.8 | 1 |
| Beta-galactosidase CHEMBL3308986 | IC50 | 7.66 | 7.66 | 22.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-galactosidase | Ki | = | 7.8 | nM | 8.11 | Inhibition of Aspergillus oryzae beta-galactosidase using 2-chloro-4-nitrophenyl... | 25295392 |
| Beta-galactosidase | IC50 | = | 22.0 | nM | 7.66 | Inhibition of Aspergillus oryzae beta-galactosidase using 2-chloro-4-nitrophenyl... | 25295392 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25295392 | 10.1021/jm501111y | Beta-galactosidase | 2 |
Data from ChEMBL 36 via Core Engine