Compound Detail
CHEMBL149953
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Basic Information
| ChEMBL ID | CHEMBL149953 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PTGBBGYJNDIZFK-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
370.5
MW (Da)
4.71
ALogP
4
HBA
1
HBD
72.2
PSA (Ų)
0.68
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Endothelin-1 receptor CHEMBL4566 | Ki | 7.55 | 7.55 | 28.0 | 1 |
| Endothelin receptor type B CHEMBL4631 | Ki | 4.82 | 4.82 | 15000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Endothelin-1 receptor | Ki | = | 28.0 | nM | 7.55 | Ability to inhibit binding of [125I]ET1 to membranes prepared from A10 rat thora... | 9857090 |
| Endothelin receptor type B | Ki | = | 15000.0 | nM | 4.82 | 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