Compound Detail
CHEMBL543700
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Basic Information
| ChEMBL ID | CHEMBL543700 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XODDYIQNUWHQFP-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1192462 |
| Active Moiety | CHEMBL1192462 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
528.2
MW (Da)
4.78
ALogP
5
HBA
1
HBD
75.9
PSA (Ų)
0.48
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| B2 bradykinin receptor CHEMBL4111 | IC50 | 7.72 | 7.72 | 19.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| B2 bradykinin receptor | IC50 | = | 19.0 | nM | 7.72 | In vitro for inhibition of specific binding of [3H]BK (0.06 nM) to bradykinin re... | 9484506 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9484506 | 10.1021/jm970591c | B2 bradykinin receptor | 1 |
| 9484506 | 10.1021/jm970591c | Cavia porcellus | 1 |
Data from ChEMBL 36 via Core Engine