Compound Detail
CHEMBL338514
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Basic Information
| ChEMBL ID | CHEMBL338514 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KPIRUMRVPGQFQD-MOHJPFBDSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
494.6
MW (Da)
5.27
ALogP
6
HBA
0
HBD
84.7
PSA (Ų)
0.22
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin II receptor (AT-1) type-1 CHEMBL2094250 | IC50 | 8.07 | 8.07 | 8.5 | 1 |
| Type-1 angiotensin II receptor CHEMBL227 | IC50 | 8.07 | 8.07 | 8.5 | 1 |
| Angiotensin II receptor CHEMBL2094256 | IC50 | 6.34 | 6.34 | 460.0 | 1 |
| Type-2 angiotensin II receptor CHEMBL4607 | IC50 | 5.23 | 5.23 | 5870.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin II receptor (AT-1) type-1 | IC50 | = | 8.5 | nM | 8.07 | Binding affinity expressed as IC50 to the Angiotensin II receptor, type 1, from ... | 7562906 |
| Type-1 angiotensin II receptor | IC50 | = | 8.5 | nM | 8.07 | Antagonist activity at angiotensin 2 type-1 receptor (unknown origin) | - |
| Angiotensin II receptor | IC50 | = | 460.0 | nM | 6.34 | Inhibition of angiotensin II induced contraction in rabbit aortic ring, activity... | 7562906 |
| Type-2 angiotensin II receptor | IC50 | = | 5870.0 | nM | 5.23 | The compound was tested for binding affinity against Angiotensin II receptor, ty... | 7562906 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7562906 | 10.1021/jm00019a005 | Angiotensin II receptor (AT-1) type-1 | 2 |
| - | 10.1007/s00044-009-9205-9 | Type-1 angiotensin II receptor | 2 |
| 7562906 | 10.1021/jm00019a005 | Angiotensin II receptor | 1 |
| 7562906 | 10.1021/jm00019a005 | Type-2 angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine