Compound Detail
CHEMBL67276
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Basic Information
| ChEMBL ID | CHEMBL67276 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KHAHXYWRUZANRS-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
293.3
MW (Da)
3.28
ALogP
5
HBA
1
HBD
56.3
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.81
IC50 1 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL1827 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Sus scrofa CHEMBL613488 | EC50 | 5.81 | 5.81 | 1560.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 100.0 | nM | 7.0 | Inhibitory activity against cGMP-phosphodiesterase from porcine aorta | 8027992 |
| Sus scrofa | EC50 | = | 1560.0 | nM | 5.81 | Relaxant effect on PGF2-alpha precontracted porcine coronary arteries | 8027992 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8027992 | 10.1021/jm00039a024 | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
| 8027992 | 10.1021/jm00039a024 | Phosphodiesterase 1 | 1 |
| 8027992 | 10.1021/jm00039a024 | cGMP-dependent 3',5'-cyclic phosphodiesterase | 1 |
| 8027992 | 10.1021/jm00039a024 | Phosphodiesterase 3A | 1 |
| 8027992 | 10.1021/jm00039a024 | Phosphodiesterase 4A | 1 |
| 8027992 | 10.1021/jm00039a024 | Sus scrofa | 1 |
Data from ChEMBL 36 via Core Engine