Compound Detail
CHEMBL279515
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Basic Information
| ChEMBL ID | CHEMBL279515 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UBQWVSHGGMIXLR-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
436.5
MW (Da)
4.63
ALogP
6
HBA
1
HBD
89.3
PSA (Ų)
0.40
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor CHEMBL3948 | IC50 | 8.22 | 8.11 | 6.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor | IC50 | = | 6.0 | nM | 8.22 | Ability to displace [125I]Sar1-Ile8-AII from angiotensin II receptor, type 1 in ... | - |
| Type-1 angiotensin II receptor | IC50 | = | 10.0 | nM | 8.0 | Binding affinity against Angiotensin II type 1 Receptor in rabbit aortic tissue | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80335-2 | Rattus norvegicus | 9 |
| - | 10.1016/S0960-894X(00)80335-2 | Angiotensin II receptor | 3 |
| - | 10.1016/S0960-894X(00)80335-2 | Type-1 angiotensin II receptor | 1 |
| - | 10.1016/S0960-894X(00)80335-2 | Type-2 angiotensin II receptor | 1 |
| - | 10.1016/S0960-894X(00)80334-0 | Type-1 angiotensin II receptor | 1 |
| - | 10.1016/S0960-894X(00)80334-0 | No relevant target | 1 |
| 29656203 | 10.1016/j.ejmech.2018.03.076 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine