Compound Detail
CHEMBL358359
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Basic Information
| ChEMBL ID | CHEMBL358359 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FNEABXZJILEWBM-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
458.6
MW (Da)
4.37
ALogP
5
HBA
1
HBD
95.1
PSA (Ų)
0.57
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.85
IC50 1 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.05 | 8.05 | 9.0 | 1 |
| Type-1 angiotensin II receptor CHEMBL227 | Ki | 7.85 | 7.85 | 14.0 | 1 |
| Type-1 angiotensin II receptor A CHEMBL329 | Ki | 7.85 | 7.85 | 14.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 9.0 | nM | 8.05 | Inhibition of AII(50 nM) induced intracellular [Ca2+] increase in PLC-PRF cells | 12361407 |
| Type-1 angiotensin II receptor | Ki | = | 14.0 | nM | 7.85 | In vitro binding affinity towards Angiotensin II receptor, type 1 of human hepat... | 12361407 |
| Type-1 angiotensin II receptor A | Ki | = | 14.0 | nM | 7.85 | Displacement of [125I]Sar1,Ile8-Ang2 from AT1 receptor in Wistar rat hepatic mem... | 18318468 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12361407 | 10.1021/jm010457z | Type-1 angiotensin II receptor | 1 |
| 12361407 | 10.1021/jm010457z | Unchecked | 1 |
| 18318468 | 10.1021/jm7011563 | Type-1 angiotensin II receptor A | 1 |
Data from ChEMBL 36 via Core Engine