Compound Detail
CHEMBL346542
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
CCCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
Basic Information
| ChEMBL ID | CHEMBL346542 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AQMXTPXPZOILAR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
526.6
MW (Da)
5.72
ALogP
9
HBA
1
HBD
128.3
PSA (Ų)
0.13
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor CHEMBL3948 | IC50 | 8.18 | 8.18 | 6.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor | IC50 | = | 6.6 | nM | 8.18 | Displacement of [125I]-Sar1-Ile8-A II at the rabbit aorta angiotensin II recepto... | 8496939 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8496939 | 10.1021/jm00057a009 | Rattus norvegicus | 2 |
| 8496939 | 10.1021/jm00057a009 | Type-1 angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine