Compound Detail
CHEMBL4064529
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Basic Information
| ChEMBL ID | CHEMBL4064529 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KLMBIKJDPAUDGO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
368.2
MW (Da)
4.51
ALogP
4
HBA
3
HBD
79.6
PSA (Ų)
0.49
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.26 | 7.26 | 55.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 55.3 | nM | 7.26 | Inhibition of N-terminal His-tagged Escherichia coli beta-glucuronidase expresse... | 29120626 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29120626 | 10.1021/acs.jmedchem.7b00963 | Unchecked | 3 |
| 29120626 | 10.1021/acs.jmedchem.7b00963 | Beta-glucuronidase | 1 |
| 29120626 | 10.1021/acs.jmedchem.7b00963 | Escherichia coli | 1 |
Data from ChEMBL 36 via Core Engine