Compound Detail
CHEMBL54459
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Basic Information
| ChEMBL ID | CHEMBL54459 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CDDGQRYTLBQTCJ-XMHGGMMESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
443.0
MW (Da)
6.48
ALogP
4
HBA
1
HBD
55.1
PSA (Ų)
0.27
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin II receptor CHEMBL2094112 | IC50 | 6.91 | 6.91 | 123.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin II receptor | IC50 | = | 123.0 | nM | 6.91 | Inhibition of [125I]AII binding to Angiotensin II receptor, type 1 of rat mesent... | 8515425 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8515425 | 10.1021/jm00065a011 | Angiotensin II receptor | 3 |
Data from ChEMBL 36 via Core Engine