Compound Detail
CHEMBL307191
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Basic Information
| ChEMBL ID | CHEMBL307191 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GCRKPEJIEZYAGJ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
441.4
MW (Da)
1.67
ALogP
9
HBA
3
HBD
142.7
PSA (Ų)
0.36
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor CHEMBL227 | IC50 | 7.36 | 7.36 | 44.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor | IC50 | = | 44.0 | nM | 7.36 | Compound was tested for inhibition against Angiotensin II receptor, type 1 | 12773029 |
| Type-1 angiotensin II receptor | IC50 | = | 44.0 | nM | 7.36 | Compound was tested in vitro for inhibitory activity against human Angiotensin I... | 12113820 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12773029 | 10.1021/jm0204237 | Type-1 angiotensin II receptor | 1 |
| 12113820 | 10.1016/s0960-894x(02)00303-7 | Type-1 angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine