Compound Detail
CHEMBL277447
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Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(-c3ncco3)cc2CNC(=O)CC(C)(C)C)c1C
Basic Information
| ChEMBL ID | CHEMBL277447 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GBHZRMWZYDRRRK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
522.6
MW (Da)
5.47
ALogP
7
HBA
2
HBD
127.3
PSA (Ų)
0.31
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 11.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Endothelin-1 receptor CHEMBL252 | Ki | 11.0 | 11.0 | 0.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | 100.0 | % | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Endothelin-1 receptor | Ki | = | 0.01 | nM | 11.0 | Inhibitory concentration against Endothelin A receptor | 14998318 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14998318 | 10.1021/jm030480f | Rattus norvegicus | 2 |
| 14998318 | 10.1021/jm030480f | Endothelin-1 receptor | 1 |
Data from ChEMBL 36 via Core Engine