Compound Detail
CHEMBL464808
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Basic Information
| ChEMBL ID | CHEMBL464808 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YSONDVUDUHZIBU-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
306.7
MW (Da)
3.51
ALogP
4
HBA
2
HBD
92.5
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.33
Ki 1 meas. best 4.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thermolysin CHEMBL3392 | IC50 | 4.33 | 4.33 | 46989.4 | 2 |
| Thermolysin CHEMBL3392 | Ki | 4.33 | 4.33 | 47000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thermolysin | IC50 | = | 47000.0 | nM | 4.33 | Inhibition of Bacillus thermoproteolyticus thermolysin | 19072688 |
| Thermolysin | IC50 | = | 46989.41 | nM | 4.33 | Inhibition of Bacillus thermoproteolyticus thermolysin | 19072688 |
| Thermolysin | Ki | = | 47000.0 | nM | 4.33 | Inhibition of Bacillus thermoproteolyticus thermolysin | 19072688 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19072688 | 10.1021/jm8008019 | Thermolysin | 5 |
Data from ChEMBL 36 via Core Engine