Compound Detail
CHEMBL97533
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Basic Information
| ChEMBL ID | CHEMBL97533 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FDCUUQDMGDDHFO-XMHGGMMESA-N |
2
Targets
3
Activities
1
Assay Types
1
PK Parameters
5
Publications
0
Known Names
Molecular Properties
474.6
MW (Da)
5.90
ALogP
5
HBA
2
HBD
92.4
PSA (Ų)
0.28
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor CHEMBL227 | IC50 | 8.92 | 8.215 | 1.2 | 2 |
| Type-1 angiotensin II receptor B CHEMBL263 | IC50 | 7.93 | 7.93 | 11.8 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 2.417 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor | IC50 | = | 1.2 | nM | 8.92 | Tested for Angiotensin II receptor, type 1 affinity in the absence of BSA | - |
| Type-1 angiotensin II receptor B | IC50 | = | 11.8 | nM | 7.93 | Tested for inhibition of [125I]- AII specific binding to rat mesenteric arteries... | - |
| Type-1 angiotensin II receptor | IC50 | = | 31.0 | nM | 7.51 | Tested for Angiotensin II receptor, type 1 affinity in the presence of 0.25% BSA | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)81116-1 | Rattus norvegicus | 5 |
| - | 10.1016/S0960-894X(01)81116-1 | Canis familiaris | 2 |
| - | 10.1016/S0960-894X(01)81116-1 | Type-1 angiotensin II receptor | 2 |
| - | 10.1016/S0960-894X(01)81116-1 | Type-1 angiotensin II receptor B | 1 |
| - | 10.1016/S0960-894X(01)81116-1 | Oryctolagus cuniculus | 1 |
Data from ChEMBL 36 via Core Engine