Compound Detail
CHEMBL295613
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL295613 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HXPURCXUTVJMPO-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
313.4
MW (Da)
2.00
ALogP
6
HBA
2
HBD
98.8
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.52
IC50 1 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL1827 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL4567 | EC50 | 6.52 | 6.52 | 300.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 128.0 | mmHg hr-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 10.0 | nM | 8.0 | Inhibition of Phosphodiesterase 5 from human | 8648603 |
| cGMP-specific 3',5'-cyclic phosphodiesterase | EC50 | = | 300.0 | nM | 6.52 | Compound was tested for inhibition of stimulation of rat aortic smooth muscle ce... | 8648603 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8648603 | 10.1021/jm950812j | cGMP-specific 3',5'-cyclic phosphodiesterase | 2 |
| 8648603 | 10.1021/jm950812j | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine