Compound Detail
CHEMBL4524048
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
CCCCc1nc(Cl)c(C(=O)[O-])n1Cc1cccc2c1c(Br)c(Br)n2-c1ccccc1-c1nn[n-]n1.[Li+].[Li+]
Basic Information
| ChEMBL ID | CHEMBL4524048 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IJWHBUQAYDGYBP-UHFFFAOYSA-L |
| Parent Compound | CHEMBL1204444 |
| Active Moiety | CHEMBL1204444 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
633.7
MW (Da)
6.27
ALogP
7
HBA
2
HBD
114.5
PSA (Ų)
0.21
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor B CHEMBL263 | Ki | 6.08 | 6.08 | 840.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor B | Ki | = | 840.0 | nM | 6.08 | Binding affinity for Angiotensin II receptor, type 1 determined using [125I]- la... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)81137-9 | Type-1 angiotensin II receptor B | 1 |
| - | 10.1016/S0960-894X(01)81137-9 | Angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine