Compound Detail
CHEMBL1667998
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CCCCC1=N[C@](C)(C2CCCCC2)C(=O)N1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1
Basic Information
| ChEMBL ID | CHEMBL1667998 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VUZVDXABWUOABD-MUUNZHRXSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
470.6
MW (Da)
5.80
ALogP
5
HBA
1
HBD
87.1
PSA (Ų)
0.45
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor CHEMBL3948 | IC50 | 9.11 | 9.11 | 0.8 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.28 | 8.28 | 5.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor | IC50 | = | 0.77 | nM | 9.11 | Binding affinity to angiotensin AT1 receptor in rabbit aortic rings | 21071232 |
| Unchecked | IC50 | = | 5.2 | nM | 8.28 | Binding affinity to angiotensin AT1 receptor in rat liver membranes | 21071232 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21071232 | 10.1016/j.bmc.2010.10.043 | Type-1 angiotensin II receptor | 1 |
| 21071232 | 10.1016/j.bmc.2010.10.043 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine