Compound Detail
CHEMBL4646388
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Basic Information
| ChEMBL ID | CHEMBL4646388 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JPWKMZIPYZARMC-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
363.4
MW (Da)
3.13
ALogP
6
HBA
2
HBD
84.2
PSA (Ų)
0.57
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Streptococcus pneumoniae CHEMBL347 | IC50 | 5.44 | 5.2 | 3600.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Streptococcus pneumoniae | IC50 | = | 3600.0 | nM | 5.44 | Antibacterial activity against Streptococcus pneumoniae ATCC 49617 | 32146051 |
| Streptococcus pneumoniae | IC50 | = | 7900.0 | nM | 5.1 | Antibacterial activity against Streptococcus pneumoniae ATCC 700904 | 32146051 |
| Streptococcus pneumoniae | IC50 | = | 8800.0 | nM | 5.06 | Antibacterial activity against Streptococcus pneumoniae ATCC BAA1663 | 32146051 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32146051 | 10.1016/j.bmcl.2020.127071 | Streptococcus pneumoniae | 3 |
Data from ChEMBL 36 via Core Engine