Compound Detail
CHEMBL558311
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Basic Information
| ChEMBL ID | CHEMBL558311 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZPAXDZKAUQQGIR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
382.4
MW (Da)
4.01
ALogP
5
HBA
1
HBD
86.0
PSA (Ų)
0.62
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | 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 | = | 93000.0 | nM | 4.03 | Inhibition of Bacillus anthracis DNA helicase DnaB expressed in Escherichia coli... | 19477652 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19477652 | 10.1016/j.bmc.2009.05.014 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine