Compound Detail
CHEMBL325742
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Basic Information
| ChEMBL ID | CHEMBL325742 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BVOSSPZCIPMSJY-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
544.5
MW (Da)
6.38
ALogP
6
HBA
1
HBD
80.8
PSA (Ų)
0.28
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.11
Ki 1 meas. best 8.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| B2 bradykinin receptor CHEMBL4111 | Ki | 8.04 | 8.04 | 9.1 | 1 |
| B2 bradykinin receptor CHEMBL4111 | IC50 | 7.11 | 7.11 | 77.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| B2 bradykinin receptor | Ki | = | 9.1 | nM | 8.04 | Inhibition of specific binding of [3H]BK to bradykinin B2 receptors of guinea pi... | 10091678 |
| B2 bradykinin receptor | IC50 | = | 77.8 | nM | 7.11 | Inhibition of specific binding of [3H]BK to bradykinin B2 receptors of guinea pi... | 10091678 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10091678 | 10.1016/s0960-894x(98)00736-7 | B2 bradykinin receptor | 3 |
| 10091678 | 10.1016/s0960-894x(98)00736-7 | Cavia porcellus | 1 |
Data from ChEMBL 36 via Core Engine