Compound Detail
CHEMBL326059
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Basic Information
| ChEMBL ID | CHEMBL326059 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SWOBCLGSVXXLQF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
3
Publications
0
Known Names
Molecular Properties
454.9
MW (Da)
3.96
ALogP
8
HBA
1
HBD
107.7
PSA (Ų)
0.56
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Endothelin-1 receptor CHEMBL252 | Ki | 9.37 | 9.37 | 0.4 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | 60.0 | % | Rattus norvegicus |
| T1/2 | 6.7 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Endothelin-1 receptor | Ki | = | 0.43 | nM | 9.37 | Tested for binding affinity for human Endothelin A receptor by measuring its abi... | 9703472 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9703472 | 10.1021/jm980217s | ADMET | 2 |
| 9703472 | 10.1021/jm980217s | Endothelin-1 receptor | 1 |
| 9703472 | 10.1021/jm980217s | Endothelin receptor type B | 1 |
Data from ChEMBL 36 via Core Engine