Compound Detail
CHEMBL87327
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Basic Information
| ChEMBL ID | CHEMBL87327 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NDCNSIFWUFOHQO-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
2
PK Parameters
5
Publications
0
Known Names
Molecular Properties
465.6
MW (Da)
5.54
ALogP
6
HBA
2
HBD
106.9
PSA (Ų)
0.34
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oryctolagus cuniculus CHEMBL374 | IC50 | 8.48 | 8.48 | 3.3 | 1 |
| Type-1 angiotensin II receptor CHEMBL3948 | IC50 | 8.48 | 8.48 | 3.3 | 1 |
| Angiotensin II receptor (AT-1) type-1 CHEMBL2094250 | IC50 | 8.38 | 8.38 | 4.2 | 1 |
| Type-1 angiotensin II receptor B CHEMBL263 | IC50 | 8.38 | 8.38 | 4.2 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 520.0 | ng.hr.mL-1 | Rattus norvegicus |
| T1/2 | 0.28 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Oryctolagus cuniculus | IC50 | = | 3.3 | nM | 8.48 | Inhibition of angiotensin II induced contraction in rabbit aortic strips after 6... | 15115399 |
| Type-1 angiotensin II receptor | IC50 | = | 3.3 | nM | 8.48 | Antagonist activity against AT1 receptor assessed as inhibition of Ang2-induced ... | 17064065 |
| Type-1 angiotensin II receptor B | IC50 | = | 4.2 | nM | 8.38 | Binding affinity for rat angiotensin II receptor, type 1 | 15115399 |
| Angiotensin II receptor (AT-1) type-1 | IC50 | = | 4.2 | nM | 8.38 | Displacement of [125I]Sar1,Ile8-Ang2 from AT1 receptor in rat hepatic membrane | 17064065 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17064065 | 10.1021/jm0603163 | Rattus norvegicus | 2 |
| 15115399 | 10.1021/jm031100t | Type-1 angiotensin II receptor B | 1 |
| 15115399 | 10.1021/jm031100t | Oryctolagus cuniculus | 1 |
| 17064065 | 10.1021/jm0603163 | Angiotensin II receptor (AT-1) type-1 | 1 |
| 17064065 | 10.1021/jm0603163 | Type-1 angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine