Compound Detail
CHEMBL1164912
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Basic Information
| ChEMBL ID | CHEMBL1164912 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SCAGTMXIFFGCAD-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
305.4
MW (Da)
3.51
ALogP
5
HBA
0
HBD
47.8
PSA (Ų)
0.57
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.11
Ki 1 meas. best 4.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thermolysin CHEMBL3392 | Ki | 4.23 | 4.23 | 59300.0 | 1 |
| Thermolysin CHEMBL3392 | IC50 | 4.11 | 4.11 | 76850.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thermolysin | Ki | = | 59300.0 | nM | 4.23 | Binding affinity to Bacillus thermoproteolyticus Thermolysin assessed as inhibit... | 33309162 |
| Thermolysin | IC50 | = | 76850.0 | nM | 4.11 | Inhibition of Bacillus thermoproteolyticus Thermolysin | 33309162 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33309162 | 10.1016/j.ejmech.2020.113070 | Thermolysin | 2 |
| 20494587 | 10.1016/j.bmc.2010.04.083 | Thermolysin | 1 |
| 33309162 | 10.1016/j.ejmech.2020.113070 | Staphylococcus aureus | 1 |
| 33309162 | 10.1016/j.ejmech.2020.113070 | Streptococcus pyogenes | 1 |
Data from ChEMBL 36 via Core Engine