Compound Detail
CHEMBL315104
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Basic Information
| ChEMBL ID | CHEMBL315104 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VRBPVOFTDKMURN-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
423.5
MW (Da)
4.90
ALogP
6
HBA
1
HBD
85.2
PSA (Ų)
0.42
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin II receptor CHEMBL2094256 | IC50 | 9.52 | 9.52 | 0.3 | 1 |
| Type-1 angiotensin II receptor B CHEMBL263 | IC50 | 9.1 | 9.1 | 0.8 | 1 |
| Type-1 angiotensin II receptor A CHEMBL329 | IC50 | 9.1 | 9.1 | 0.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin II receptor | IC50 | = | 0.3 | nM | 9.52 | Binding affinity towards Angiotensin receptor from rabbit aorta | 1895308 |
| Type-1 angiotensin II receptor B | IC50 | = | 0.8 | nM | 9.1 | Binding affinity for rat angiotensin II receptor, type 1 | 15115399 |
| Type-1 angiotensin II receptor A | IC50 | = | 0.8 | nM | 9.1 | Displacement of [125I]Sar1,Ile8-Ang2 from AT1 receptor in Wistar rat hepatic mem... | 18318468 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1895308 | 10.1021/jm00113a035 | Angiotensin II receptor | 1 |
| 1895308 | 10.1021/jm00113a035 | Type-2 angiotensin II receptor | 1 |
| 15115399 | 10.1021/jm031100t | Type-1 angiotensin II receptor B | 1 |
| 18318468 | 10.1021/jm7011563 | Type-1 angiotensin II receptor A | 1 |
Data from ChEMBL 36 via Core Engine