Compound Detail
CHEMBL609181
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Basic Information
| ChEMBL ID | CHEMBL609181 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SMLYITFXAUMWOH-QHPFDFDXSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
310.3
MW (Da)
1.24
ALogP
5
HBA
3
HBD
69.9
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Klebsiella pneumoniae CHEMBL350 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Klebsiella pneumoniae | IC50 | = | 40.0 | nM | 7.4 | Concentration required to inhibit the growth of a clinical strain of Klebsiella ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)81020-9 | Klebsiella pneumoniae | 1 |
Data from ChEMBL 36 via Core Engine