Compound Detail
CHEMBL303426
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CCCc1nc(C(=O)N2CCN(c3ccccn3)CC2)c(C(=O)O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
Basic Information
| ChEMBL ID | CHEMBL303426 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IJRCAHZGYYDUON-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
577.6
MW (Da)
3.79
ALogP
9
HBA
2
HBD
146.0
PSA (Ų)
0.27
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor CHEMBL227 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| Type-2 angiotensin II receptor CHEMBL4607 | IC50 | 6.16 | 6.16 | 700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor | IC50 | = | 2.0 | nM | 8.7 | In vitro binding affinity of compound against Angiotensin II receptor, type 1 | - |
| Type-2 angiotensin II receptor | IC50 | = | 700.0 | nM | 6.16 | In vitro binding affinity of compound against angiotensin II AT-2 receptor | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80076-1 | Rattus norvegicus | 2 |
| - | 10.1016/S0960-894X(00)80076-1 | Type-2 angiotensin II receptor | 1 |
| - | 10.1016/S0960-894X(00)80076-1 | Type-1 angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine