Compound Detail
CHEMBL1332729
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Basic Information
| ChEMBL ID | CHEMBL1332729 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GRBOEUFMYDJIOU-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
397.9
MW (Da)
4.02
ALogP
4
HBA
1
HBD
75.4
PSA (Ų)
0.65
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor CHEMBL227 | IC50 | 6.7 | 6.7 | 199.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor | IC50 | = | 199.53 | nM | 6.7 | Displacement of [125I-Sar1-Ile8]Ang2 from human AT1 receptor expressed in HEK293... | 27480029 |
| Type-1 angiotensin II receptor | IC50 | = | 199.0 | nM | 6.7 | Displacement of [125I-Sar1-Ile8]Ang2 from human AT1 receptor expressed in HEK293... | 27480029 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27480029 | 10.1016/j.bmc.2016.07.047 | Type-1 angiotensin II receptor | 3 |
Data from ChEMBL 36 via Core Engine