Compound Detail
CHEMBL259114
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Basic Information
| ChEMBL ID | CHEMBL259114 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BWKIOYBQMPZRBR-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
8
PK Parameters
4
Publications
0
Known Names
Molecular Properties
425.5
MW (Da)
3.89
ALogP
7
HBA
1
HBD
94.3
PSA (Ų)
0.43
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.75
Kd 1 meas. best 7.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor CHEMBL3948 | Kd | 7.98 | 7.98 | 10.5 | 1 |
| Type-1 angiotensin II receptor A CHEMBL329 | IC50 | 7.75 | 7.75 | 18.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 1410.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 3380.0 | ng.hr.mL-1 | Rattus norvegicus |
| Cmax | 14853.11 | nM | Rattus norvegicus |
| Cmax | 9635.72 | nM | Rattus norvegicus |
| F | 80.0 | % | Rattus norvegicus |
| T1/2 | 1.0 | hr | Rattus norvegicus |
| T1/2 | 0.9 | hr | Rattus norvegicus |
| Tmax | 0.5 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor | Kd | = | 10.47 | nM | 7.98 | Antagonist activity at AT1 receptor in KCl-contracted rabbit aortic strips after... | 18318468 |
| Type-1 angiotensin II receptor A | IC50 | = | 18.0 | nM | 7.75 | Displacement of [125I]Sar1,Ile8-Ang2 from AT1 receptor in Wistar rat hepatic mem... | 18318468 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18318468 | 10.1021/jm7011563 | Rattus norvegicus | 8 |
| 18318468 | 10.1021/jm7011563 | Type-1 angiotensin II receptor A | 1 |
| 18318468 | 10.1021/jm7011563 | Caco-2 | 1 |
| 18318468 | 10.1021/jm7011563 | Type-1 angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine