Compound Detail
CHEMBL566367
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Basic Information
| ChEMBL ID | CHEMBL566367 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BARLEIMXNHHMRY-AWEZNQCLSA-N |
2
Targets
2
Activities
1
Assay Types
10
PK Parameters
4
Publications
0
Known Names
Molecular Properties
413.5
MW (Da)
2.08
ALogP
9
HBA
2
HBD
111.4
PSA (Ų)
0.49
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 10.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL1827 | IC50 | 10.05 | 10.05 | 0.1 | 1 |
| Rod cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha CHEMBL3878 | IC50 | 7.82 | 7.82 | 15.3 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 500.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 13.8 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 17.8 | mL.min-1.kg-1 | Canis lupus familiaris |
| F | 42.0 | % | Rattus norvegicus |
| F | 38.0 | % | Canis lupus familiaris |
| T1/2 | 1.3 | hr | Rattus norvegicus |
| T1/2 | 4.1 | hr | Canis lupus familiaris |
| Vd | 35.0 | L.kg-1 | Rattus norvegicus |
| Vd | 1.0 | L.kg-1 | Rattus norvegicus |
| Vd | 4.3 | L.kg-1 | Canis lupus familiaris |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 0.09 | nM | 10.05 | Inhibition of PDE5 | 19631533 |
| Rod cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha | IC50 | = | 15.3 | nM | 7.82 | Inhibition of PDE6 | 19631533 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19631533 | 10.1016/j.bmcl.2009.07.019 | Rattus norvegicus | 6 |
| 19631533 | 10.1016/j.bmcl.2009.07.019 | Canis familiaris | 4 |
| 19631533 | 10.1016/j.bmcl.2009.07.019 | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
| 19631533 | 10.1016/j.bmcl.2009.07.019 | Rod cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha | 1 |
Data from ChEMBL 36 via Core Engine