Compound Detail
CHEMBL277333
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Basic Information
| ChEMBL ID | CHEMBL277333 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PCJVQAIEWHNOOB-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
452.6
MW (Da)
5.46
ALogP
5
HBA
2
HBD
86.8
PSA (Ų)
0.41
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensinogen CHEMBL5291508 | IC50 | 7.05 | 7.05 | 90.0 | 1 |
| Angiotensin II receptor CHEMBL2094112 | IC50 | 4.35 | 4.35 | 45000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensinogen | IC50 | = | 90.0 | nM | 7.05 | Inhibition of rat adrenal cortex angiotensin II | 29656203 |
| Angiotensin II receptor | IC50 | = | 45000.0 | nM | 4.35 | Concentration required for 50% inhibition of binding against Angiotensin II rece... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80244-4 | Angiotensin II receptor | 1 |
| 29656203 | 10.1016/j.ejmech.2018.03.076 | Angiotensinogen | 1 |
| 29656203 | 10.1016/j.ejmech.2018.03.076 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine