Compound Detail
CHEMBL314315
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Basic Information
| ChEMBL ID | CHEMBL314315 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CPPCOUAVKSXREI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
2
PK Parameters
3
Publications
0
Known Names
Molecular Properties
485.0
MW (Da)
6.62
ALogP
5
HBA
1
HBD
80.9
PSA (Ų)
0.27
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin II receptor (AT-1) type-1 CHEMBL2094250 | IC50 | 8.11 | 8.11 | 7.7 | 1 |
| Type-1 angiotensin II receptor B CHEMBL263 | IC50 | 8.11 | 8.11 | 7.7 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 340.0 | ng.hr.mL-1 | Rattus norvegicus |
| T1/2 | 0.3 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor B | IC50 | = | 7.7 | nM | 8.11 | Binding affinity for rat angiotensin II receptor, type 1 | 15115399 |
| Angiotensin II receptor (AT-1) type-1 | IC50 | = | 7.7 | nM | 8.11 | 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 |
| 17064065 | 10.1021/jm0603163 | Angiotensin II receptor (AT-1) type-1 | 1 |
Data from ChEMBL 36 via Core Engine