Compound Detail
CHEMBL210603
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 | CHEMBL210603 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IQOUMUUIJXJPMR-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
3
PK Parameters
6
Publications
0
Known Names
Molecular Properties
460.5
MW (Da)
4.37
ALogP
9
HBA
1
HBD
115.9
PSA (Ų)
0.27
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL1827 | IC50 | 8.51 | 8.51 | 3.1 | 1 |
| Cone cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha' CHEMBL3977 | IC50 | 6.74 | 6.74 | 183.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 8.0 | mL.min-1.kg-1 | Canis lupus familiaris |
| T1/2 | 5.0 | hr | Canis lupus familiaris |
| Tmax | 2.0 | hr | 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 | = | 3.1 | nM | 8.51 | Inhibition of human corpus cavernosum PDE5 | 16759100 |
| Cone cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha' | IC50 | = | 183.0 | nM | 6.74 | Inhibition of canine retinal cone PDE6 | 16759100 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16759100 | 10.1021/jm060113e | Canis familiaris | 4 |
| 16759100 | 10.1021/jm060113e | Caco-2 | 2 |
| 16759100 | 10.1021/jm060113e | Molecular identity unknown | 1 |
| 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 |
| 16759100 | 10.1021/jm060113e | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine