Compound Detail
CHEMBL124541
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
CCCc1cc(Cn2c(CC)nc3c(C)cc(C)nc32)cc(CCC)c1OC(C(=O)O)c1ccc(C)cc1
Basic Information
| ChEMBL ID | CHEMBL124541 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JNVJJRSXVJPSIS-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
513.7
MW (Da)
7.08
ALogP
5
HBA
1
HBD
77.2
PSA (Ų)
0.23
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor CHEMBL3948 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| Type-2 angiotensin II receptor CHEMBL257 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor | IC50 | = | 4.0 | nM | 8.4 | Displacement of [1251][Sar1,IIe8]AII from rabbit aorta Angiotensin II receptor, ... | 8246245 |
| Type-2 angiotensin II receptor | IC50 | = | 400.0 | nM | 6.4 | Displacement of [1251][Sar1,IIe8]AII from rat midbrain angiotensin II (AT2) rece... | 8246245 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8246245 | 10.1021/jm00075a033 | Type-1 angiotensin II receptor | 1 |
| 8246245 | 10.1021/jm00075a033 | Type-2 angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine