Compound Detail
CHEMBL19808
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Basic Information
| ChEMBL ID | CHEMBL19808 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SFHTYTXFJBCUIC-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
2
PK Parameters
6
Publications
0
Known Names
Molecular Properties
466.9
MW (Da)
3.35
ALogP
9
HBA
2
HBD
143.6
PSA (Ų)
0.58
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Endothelin-1 receptor CHEMBL252 | IC50 | 8.47 | 8.47 | 3.4 | 2 |
| Endothelin receptor type B CHEMBL1785 | IC50 | 4.39 | 4.39 | 40400.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | 8.0 | % | Rattus norvegicus |
| T1/2 | 2.5 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Endothelin-1 receptor | IC50 | = | 3.4 | nM | 8.47 | Inhibitory concentration was determined against selective Endothelin A receptor | 11312921 |
| Endothelin-1 receptor | IC50 | = | 3.4 | nM | 8.47 | In vitro inhibition of endothelin binding to human Endothelin A receptor using [... | 9171877 |
| Endothelin receptor type B | IC50 | = | 40400.0 | nM | 4.39 | In vitro inhibition of endothelin binding to human Endothelin B receptor using [... | 9171877 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9171877 | 10.1021/jm9608366 | Rattus norvegicus | 2 |
| 11312921 | 10.1021/jm000349x | Endothelin-1 receptor | 1 |
| 11312921 | 10.1021/jm000349x | Endothelin receptor, ET-A/ET-B | 1 |
| 11312921 | 10.1021/jm000349x | ADMET | 1 |
| 9171877 | 10.1021/jm9608366 | Endothelin-1 receptor | 1 |
| 9171877 | 10.1021/jm9608366 | Endothelin receptor type B | 1 |
Data from ChEMBL 36 via Core Engine