Compound Detail
CHEMBL80506
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Basic Information
| ChEMBL ID | CHEMBL80506 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FICDMFJBLNFMAR-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
331.2
MW (Da)
2.85
ALogP
4
HBA
1
HBD
72.2
PSA (Ų)
0.94
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.21
Ki 1 meas. best 5.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Endothelin-1 receptor CHEMBL252 | IC50 | 6.21 | 6.21 | 620.0 | 1 |
| Endothelin-1 receptor CHEMBL4566 | Ki | 5.1 | 5.1 | 8000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Endothelin-1 receptor | IC50 | = | 620.0 | nM | 6.21 | Binding affinity against human Endothelin A receptor in TE 671(ATCC# HTB 139) ce... | - |
| Endothelin-1 receptor | Ki | = | 8000.0 | nM | 5.1 | Ability to inhibit binding of [125I]ET1 to membranes prepared from A10 rat thora... | 9857090 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 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-1 receptor | 1 |
Data from ChEMBL 36 via Core Engine