Compound Detail
CHEMBL459183
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CCCCCCCCCCCC(=O)Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1
Basic Information
| ChEMBL ID | CHEMBL459183 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DIQMOLNTZYUDBX-GEALJGNFSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
425.5
MW (Da)
1.71
ALogP
8
HBA
4
HBD
133.9
PSA (Ų)
0.35
QED
0
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 10.19
Ki 1 meas. best 10.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thermolysin CHEMBL3392 | IC50 | 10.19 | 10.19 | 0.1 | 2 |
| Thermolysin CHEMBL3392 | Ki | 10.19 | 10.19 | 0.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thermolysin | IC50 | = | 0.064 | nM | 10.19 | Inhibition of Bacillus thermoproteolyticus thermolysin | 19072688 |
| Thermolysin | IC50 | = | 0.06397 | nM | 10.19 | Inhibition of Bacillus thermoproteolyticus thermolysin | 19072688 |
| Thermolysin | Ki | = | 0.064 | nM | 10.19 | 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