Compound Detail
CHEMBL423574
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
Basic Information
| ChEMBL ID | CHEMBL423574 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VJXGETICKRSWGC-IAGOWNOFSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
349.5
MW (Da)
3.24
ALogP
3
HBA
3
HBD
66.4
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thermolysin CHEMBL3392 | IC50 | 4.22 | 4.22 | 60000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thermolysin | IC50 | = | 60000.0 | nM | 4.22 | Inhibitory concentration required to inhibit thermolysin | 9046340 |
| Thermolysin | IC50 | = | 60000.0 | nM | 4.22 | Inhibitory concentration required to inhibit thermolysin (TLN) | 9046341 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9046340 | 10.1021/jm960582o | Neprilysin | 1 |
| 9046340 | 10.1021/jm960582o | Thermolysin | 1 |
| 9046341 | 10.1021/jm960583g | Neprilysin | 1 |
| 9046341 | 10.1021/jm960583g | Thermolysin | 1 |
| 9046341 | 10.1021/jm960583g | Angiotensin-converting enzyme | 1 |
Data from ChEMBL 36 via Core Engine