Compound Detail
CHEMBL149152
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Cc1noc(NS(=O)(=O)c2cccc(OCC(=O)[O-])c2-c2ccc(CC(C)C)cc2)c1C.[Li+]
Basic Information
| ChEMBL ID | CHEMBL149152 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FBLYWBXYVRVGBE-UHFFFAOYSA-M |
| Parent Compound | CHEMBL1204523 |
| Active Moiety | CHEMBL1204523 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
458.5
MW (Da)
4.42
ALogP
6
HBA
2
HBD
118.7
PSA (Ų)
0.49
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Endothelin-1 receptor CHEMBL4566 | Ki | 7.38 | 7.38 | 42.0 | 1 |
| Endothelin receptor type B CHEMBL4631 | Ki | 5.4 | 5.4 | 4000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Endothelin-1 receptor | Ki | = | 42.0 | nM | 7.38 | Ability to inhibit binding of [125I]ET1 to membranes prepared from A10 rat thora... | 9857090 |
| Endothelin receptor type B | Ki | = | 4000.0 | nM | 5.4 | Ability to inhibit binding of [125I]-ET-1 to membranes prepared from A10 rat cer... | 9857090 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9857090 | 10.1021/jm970872k | Endothelin-1 receptor | 2 |
| 9857090 | 10.1021/jm970872k | Endothelin receptor type B | 1 |
Data from ChEMBL 36 via Core Engine