Compound Detail
CHEMBL374779
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Basic Information
| ChEMBL ID | CHEMBL374779 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZKNSQMRSBCQXFM-CQSZACIVSA-N |
1
Targets
1
Activities
1
Assay Types
6
PK Parameters
3
Publications
0
Known Names
Molecular Properties
433.9
MW (Da)
5.44
ALogP
5
HBA
2
HBD
101.6
PSA (Ų)
0.54
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| B1 bradykinin receptor CHEMBL4308 | Ki | 8.7 | 8.7 | 2.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 8.3 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | - | - | Canis lupus familiaris |
| F | 80.0 | % | Rattus norvegicus |
| F | - | % | Canis lupus familiaris |
| T1/2 | 0.9 | hr | Rattus norvegicus |
| t1/2 | - | - | Canis lupus familiaris |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| B1 bradykinin receptor | Ki | = | 2.0 | nM | 8.7 | Displacement of [3H]des-arg10, leu9-kallidin from human bradykinin B1 receptor e... | 15588075 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15588075 | 10.1021/jm049394l | Rattus norvegicus | 3 |
| 15588075 | 10.1021/jm049394l | Canis familiaris | 3 |
| 15588075 | 10.1021/jm049394l | B1 bradykinin receptor | 2 |
Data from ChEMBL 36 via Core Engine