Compound Detail
CHEMBL347610
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Basic Information
| ChEMBL ID | CHEMBL347610 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LASWNZRBIPFGHP-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
398.5
MW (Da)
3.55
ALogP
7
HBA
1
HBD
89.6
PSA (Ų)
0.47
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 8.82
IC50 1 meas. best 8.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor CHEMBL3948 | Kd | 8.82 | 8.82 | 1.5 | 1 |
| Type-1 angiotensin II receptor CHEMBL3948 | IC50 | 8.77 | 8.77 | 1.7 | 1 |
| Angiotensin II receptor CHEMBL2094256 | Kd | 8.65 | 8.65 | 2.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor | Kd | = | 1.514 | nM | 8.82 | Antagonist activity at angiotensin AT1 receptor in rabbit aorta | 21071232 |
| Type-1 angiotensin II receptor | IC50 | = | 1.7 | nM | 8.77 | Inhibitory activity was evaluated against angiotensin II type 1 rabbit aorta | 8576904 |
| Angiotensin II receptor | Kd | = | 2.239 | nM | 8.65 | Inhibition of angiotensin II-induced contractions in rabbit aorta in vitro. | 8576904 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8576904 | 10.1021/jm9504722 | Type-1 angiotensin II receptor | 1 |
| 8576904 | 10.1021/jm9504722 | Angiotensin II receptor | 1 |
| 21071232 | 10.1016/j.bmc.2010.10.043 | Type-1 angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine