Compound Detail
CHEMBL310427
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Basic Information
| ChEMBL ID | CHEMBL310427 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SLBYWDJLJLBXGV-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
328.4
MW (Da)
3.76
ALogP
4
HBA
1
HBD
72.2
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.08
Ki 1 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Endothelin-1 receptor CHEMBL252 | IC50 | 8.08 | 8.08 | 8.3 | 1 |
| Endothelin-1 receptor CHEMBL4566 | Ki | 7.05 | 7.05 | 90.0 | 1 |
| Endothelin receptor type B CHEMBL1785 | IC50 | 4.26 | 4.26 | 55000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Endothelin-1 receptor | IC50 | = | 8.3 | nM | 8.08 | Binding affinity against human ETA receptor in TE 671(ATCC# HTB 139) cell membra... | - |
| Endothelin-1 receptor | Ki | = | 90.0 | nM | 7.05 | Ability to inhibit binding of [125I]ET1 to membranes prepared from A10 rat thora... | 9857090 |
| Endothelin receptor type B | IC50 | = | 55000.0 | nM | 4.26 | Binding affinity against human ETB receptor in transfected COS 7 cell membrane p... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9857090 | 10.1021/jm970872k | Endothelin-1 receptor | 2 |
| - | 10.1016/0960-894X(96)00441-6 | Endothelin-1 receptor | 1 |
| - | 10.1016/0960-894X(96)00441-6 | Endothelin receptor type B | 1 |
| 9857090 | 10.1021/jm970872k | Endothelin receptor type B | 1 |
Data from ChEMBL 36 via Core Engine