Compound Detail
CHEMBL83452
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CCCN(CCC)c1nc2ccccc2c(-c2ccc(Cn3c(CC)nc4c(C)cc(C)nc43)cc2)c1C(=O)O
Basic Information
| ChEMBL ID | CHEMBL83452 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UHLUJKTZAHNPOH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
535.7
MW (Da)
7.20
ALogP
6
HBA
1
HBD
84.1
PSA (Ų)
0.20
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor B CHEMBL263 | IC50 | 6.31 | 6.31 | 492.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor B | IC50 | = | 492.0 | nM | 6.31 | Binding affinity for rat angiotensin II receptor, type 1 | 15115399 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15115399 | 10.1021/jm031100t | Type-1 angiotensin II receptor B | 1 |
Data from ChEMBL 36 via Core Engine