Compound Detail
CHEMBL295854
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
CCCCc1nc2ccn(CC(=O)N(CC)CC)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
Basic Information
| ChEMBL ID | CHEMBL295854 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VDFOBEUYPXRSDL-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
538.7
MW (Da)
4.30
ALogP
8
HBA
1
HBD
114.6
PSA (Ų)
0.27
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 10.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin II receptor CHEMBL2094256 | IC50 | 10.1 | 10.1 | 0.1 | 1 |
| Angiotensin II receptor (AT-1) type-1 CHEMBL2094250 | IC50 | 9.44 | 9.44 | 0.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin II receptor | IC50 | = | 0.08 | nM | 10.1 | Inhibition of Angiotensin II induced contractions in rabbit aortic rings | 8201597 |
| Angiotensin II receptor (AT-1) type-1 | IC50 | = | 0.36 | nM | 9.44 | Binding affinity against AT1 receptor of rat adrenal cortical membranes | 8201597 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8201597 | 10.1021/jm00037a014 | Angiotensin II receptor (AT-1) type-1 | 1 |
| 8201597 | 10.1021/jm00037a014 | Angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine