Compound Detail
CHEMBL209460
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Basic Information
| ChEMBL ID | CHEMBL209460 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AANJEOKXWMXQIE-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
439.5
MW (Da)
2.60
ALogP
9
HBA
1
HBD
102.6
PSA (Ų)
0.53
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cone cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha' CHEMBL3977 | IC50 | 8.85 | 8.85 | 1.4 | 1 |
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL1827 | IC50 | 8.77 | 8.77 | 1.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cone cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha' | IC50 | = | 1.4 | nM | 8.85 | Inhibition of canine retinal cone PDE6 | 16759100 |
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 1.7 | nM | 8.77 | Inhibition of human corpus cavernosum PDE5 | 16759100 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16759100 | 10.1021/jm060113e | Caco-2 | 2 |
| 16759100 | 10.1021/jm060113e | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
| 16759100 | 10.1021/jm060113e | Cone cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha' | 1 |
Data from ChEMBL 36 via Core Engine