Compound Detail
CHEMBL314859
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Basic Information
| ChEMBL ID | CHEMBL314859 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KDRYYKNFANUHTJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
445.9
MW (Da)
5.60
ALogP
5
HBA
1
HBD
76.6
PSA (Ų)
0.42
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor CHEMBL1671613 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor | IC50 | = | 7.0 | nM | 8.15 | Compound was tested for in vitro inhibition of specific binding of [I-125]AII to... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80295-X | Type-1 angiotensin II receptor | 1 |
| - | 10.1016/S0960-894X(01)80295-X | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine