Compound Detail
CHEMBL58359
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Basic Information
| ChEMBL ID | CHEMBL58359 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YMSLHGRGMAOKEC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
3
PK Parameters
2
Publications
0
Known Names
Molecular Properties
444.5
MW (Da)
4.20
ALogP
7
HBA
2
HBD
125.1
PSA (Ų)
0.61
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 10.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Endothelin-1 receptor CHEMBL252 | IC50 | 10.1 | 10.1 | 0.1 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 667100.0 | ng.hr.mL-1 | Rattus norvegicus |
| Cmax | 193008.5 | nM | Rattus norvegicus |
| T1/2 | 5.3 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Endothelin-1 receptor | IC50 | = | 0.08 | nM | 10.1 | Displacement of [125I]ET-1 from Endothelin A receptor | 15055997 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15055997 | 10.1021/jm030528p | Rattus norvegicus | 5 |
| 15055997 | 10.1021/jm030528p | Endothelin-1 receptor | 2 |
Data from ChEMBL 36 via Core Engine