Compound Detail
CHEMBL121871
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
CCOC(=O)/C=C1\N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C(=O)CC12CCCCCC2
Basic Information
| ChEMBL ID | CHEMBL121871 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VUVOEWLUOKHLID-ULJHMMPZSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
485.6
MW (Da)
5.05
ALogP
6
HBA
1
HBD
101.1
PSA (Ų)
0.39
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.22
Kd 1 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oryctolagus cuniculus CHEMBL374 | Kd | 8.4 | 8.4 | 4.0 | 1 |
| Type-1 angiotensin II receptor CHEMBL3374 | IC50 | 7.22 | 7.22 | 60.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Oryctolagus cuniculus | Kd | = | 3.981 | nM | 8.4 | Tested for inhibitory activity against angiotensin II induced contraction in rab... | - |
| Type-1 angiotensin II receptor | IC50 | = | 60.0 | nM | 7.22 | Concentration that gives 50% inhibition for binding of 125-I-[Sar1, IIe8] angiot... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80914-8 | Oryctolagus cuniculus | 1 |
| - | 10.1016/S0960-894X(01)80914-8 | Type-1 angiotensin II receptor | 1 |
| - | 10.1016/S0960-894X(01)80914-8 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine