Compound Detail
CHEMBL1668003
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Basic Information
| ChEMBL ID | CHEMBL1668003 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XMQVYNKVIAGRNA-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
460.5
MW (Da)
5.12
ALogP
6
HBA
2
HBD
92.5
PSA (Ų)
0.35
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor CHEMBL227 | Ki | 7.54 | 7.54 | 29.0 | 1 |
| Type-2 angiotensin II receptor CHEMBL4607 | Ki | 6.32 | 6.32 | 480.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor | Ki | = | 29.0 | nM | 7.54 | Binding affinity to angiotensin AT1 receptor | 21071232 |
| Type-2 angiotensin II receptor | Ki | = | 480.0 | nM | 6.32 | Binding affinity to angiotensin AT2 receptor | 21071232 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21071232 | 10.1016/j.bmc.2010.10.043 | Type-2 angiotensin II receptor | 1 |
| 21071232 | 10.1016/j.bmc.2010.10.043 | Type-1 angiotensin II receptor | 1 |
| 21071232 | 10.1016/j.bmc.2010.10.043 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine