Compound Detail
CHEMBL340612
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Basic Information
| ChEMBL ID | CHEMBL340612 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IDAVGKCQCDLMJO-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
396.4
MW (Da)
4.33
ALogP
6
HBA
1
HBD
81.5
PSA (Ų)
0.46
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.41
Kd 1 meas. best 7.93
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oryctolagus cuniculus CHEMBL374 | Kd | 7.93 | 7.93 | 11.8 | 1 |
| Type-1 angiotensin II receptor CHEMBL3374 | IC50 | 6.41 | 6.41 | 390.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Oryctolagus cuniculus | Kd | = | 11.75 | nM | 7.93 | In vitro inhibition of contraction of rabbit aorta strips measured as pA2 calcul... | - |
| Type-1 angiotensin II receptor | IC50 | = | 390.0 | nM | 6.41 | Concentration required to inhibit [125I]AII binding to Angiotensin II receptor f... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)81118-5 | Type-1 angiotensin II receptor | 1 |
| - | 10.1016/S0960-894X(01)81118-5 | Oryctolagus cuniculus | 1 |
| 33129593 | 10.1016/j.ejmech.2020.112964 | NEDD8-activating enzyme E1 regulatory subunit | 1 |
| 33129593 | 10.1016/j.ejmech.2020.112964 | A549 | 1 |
Data from ChEMBL 36 via Core Engine