Compound Detail
CHEMBL305239
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
CCCCN(Cc1ccccc1)C(=O)c1ccc(COC(=O)c2c(CC)nc(CCC)n2Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)cc1
Basic Information
| ChEMBL ID | CHEMBL305239 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XYDYLGJCXRWTMO-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
695.9
MW (Da)
8.09
ALogP
8
HBA
1
HBD
118.9
PSA (Ų)
0.10
QED
2
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor CHEMBL227 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
| Type-2 angiotensin II receptor CHEMBL4607 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor | IC50 | = | 8.0 | nM | 8.1 | Binding affinity for Angiotensin II receptor, type 1 | - |
| Type-2 angiotensin II receptor | IC50 | = | 200.0 | nM | 6.7 | Binding affinity for angiotensin II AT-2 receptor | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80077-3 | Type-1 angiotensin II receptor | 1 |
| - | 10.1016/S0960-894X(00)80077-3 | Type-2 angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine