Compound Detail
CHEMBL421969
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Basic Information
| ChEMBL ID | CHEMBL421969 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DKMLYADVVLIQTK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
425.4
MW (Da)
2.92
ALogP
7
HBA
1
HBD
117.6
PSA (Ų)
0.49
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin II receptor (AT-1) type-1 CHEMBL2094250 | IC50 | 7.29 | 7.29 | 50.7 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | - | - | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin II receptor (AT-1) type-1 | IC50 | = | 50.7 | nM | 7.29 | In vitro inhibition of specific binding of [125 I] A II to rat liver membrane. | 8120871 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8120871 | 10.1021/jm00030a013 | Angiotensin II receptor (AT-1) type-1 | 1 |
| 8120871 | 10.1021/jm00030a013 | Rattus norvegicus | 1 |
| 8120871 | 10.1021/jm00030a013 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine