Compound Detail
CHEMBL488140
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 | CHEMBL488140 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SADQNNIVDUABSE-CSKARUKUSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
277.3
MW (Da)
4.12
ALogP
3
HBA
1
HBD
42.4
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor CHEMBL227 | IC50 | 4.82 | 4.82 | 15100.0 | 1 |
| Endothelin-converting enzyme 2 CHEMBL5890 | IC50 | 4.45 | 4.45 | 35700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor | IC50 | = | 15100.0 | nM | 4.82 | PUBCHEM_BIOASSAY: Dose Response screen for antagonists of Angiotensin II Recepto... | - |
| Endothelin-converting enzyme 2 | IC50 | = | 35700.0 | nM | 4.45 | Reduction of recombinant ECE2 activity measured by McaBk2 fluorescent substrate ... | 18507370 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18507370 | 10.1021/jm7015478 | Endothelin-converting enzyme 2 | 1 |
| 34779640 | 10.1021/acs.jmedchem.1c01318 | Mycobacterium tuberculosis | 1 |
Data from ChEMBL 36 via Core Engine