Compound Detail
CHEMBL37919
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CCCCc1nc2ccc(N(Cc3ccccc3)C(=O)OCC(C)C)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
Basic Information
| ChEMBL ID | CHEMBL37919 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LAGNTACJASRYHV-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
641.8
MW (Da)
7.43
ALogP
8
HBA
1
HBD
118.9
PSA (Ų)
0.15
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor CHEMBL3948 | IC50 | 8.29 | 8.29 | 5.1 | 1 |
| Type-2 angiotensin II receptor CHEMBL257 | IC50 | 7.48 | 7.48 | 33.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor | IC50 | = | 5.1 | nM | 8.29 | Displacement of [125 I]Sar1Ile8-AII from type 1 Angiotensin II receptor of rabbi... | - |
| Type-2 angiotensin II receptor | IC50 | = | 33.0 | nM | 7.48 | Displacement of [125 I]Sar1Ile8-AII from AT2 receptor of rat midbrain membrane | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80517-5 | Type-1 angiotensin II receptor | 1 |
| - | 10.1016/S0960-894X(01)80517-5 | Type-2 angiotensin II receptor | 1 |
| - | 10.1016/S0960-894X(01)80517-5 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine