Compound Detail
CHEMBL233896
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Basic Information
| ChEMBL ID | CHEMBL233896 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SWFVWROOFHMFAB-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
333.4
MW (Da)
3.98
ALogP
5
HBA
0
HBD
51.4
PSA (Ų)
0.55
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.47 | 5.04 | 3400.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 3400.0 | nM | 5.47 | Inhibition of Escherichia coli primase by scintillation proximity assay | 17350255 |
| Unchecked | IC50 | = | 11760.0 | nM | 4.93 | PUBCHEM_BIOASSAY: High Throughput Screening Assay used to Identify Novel Compoun... | - |
| Unchecked | IC50 | = | 19100.0 | nM | 4.72 | PUBCHEM_BIOASSAY: A High Throughput Confirmatory Assay used to Identify Novel Co... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17350255 | 10.1016/j.bmcl.2007.02.056 | Unchecked | 1 |
| 17350255 | 10.1016/j.bmcl.2007.02.056 | Escherichia coli | 1 |
Data from ChEMBL 36 via Core Engine