Compound Detail
CHEMBL208091
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Basic Information
| ChEMBL ID | CHEMBL208091 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PWFBZASPUNGGAM-HCWXCVPCSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
268.3
MW (Da)
-2.25
ALogP
7
HBA
6
HBD
153.1
PSA (Ų)
0.16
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 6.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| S-ribosylhomocysteine lyase CHEMBL5171 | Ki | 6.43 | 5.9233 | 370.0 | 3 |
| S-ribosylhomocysteine lyase CHEMBL3496 | Ki | 4.9 | 4.9 | 12700.0 | 1 |
| S-ribosylhomocysteine lyase CHEMBL4682 | Ki | 4.89 | 4.89 | 12800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| S-ribosylhomocysteine lyase | Ki | = | 370.0 | nM | 6.43 | Inhibition of cobalt substituted Bacillus subtilis LuxS | 16686542 |
| S-ribosylhomocysteine lyase | Ki | = | 430.0 | nM | 6.37 | Inhibition of ferrous substituted Bacillus subtilis LuxS | 16686542 |
| S-ribosylhomocysteine lyase | Ki | = | 10600.0 | nM | 4.97 | Inhibition of zinc substituted Bacillus subtilis LuxS | 16686542 |
| S-ribosylhomocysteine lyase | Ki | = | 12700.0 | nM | 4.9 | Inhibition of cobalt substituted Escherichia coli LuxS | 16686542 |
| S-ribosylhomocysteine lyase | Ki | = | 12800.0 | nM | 4.89 | Inhibition of cobalt substituted Vibrio harveyi LuxS | 16686542 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16686542 | 10.1021/jm060047g | S-ribosylhomocysteine lyase | 5 |
Data from ChEMBL 36 via Core Engine