Compound Detail
CHEMBL209157
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CCc1c2nc(-c3cc(S(=O)(=O)N4CCN(CC)CC4)cnc3OCCOC)[nH]c(=O)c2nn1Cc1ccccn1
Basic Information
| ChEMBL ID | CHEMBL209157 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QDPNAMRLQRQPMR-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
1
PK Parameters
5
Publications
0
Known Names
Molecular Properties
582.7
MW (Da)
1.54
ALogP
11
HBA
1
HBD
148.4
PSA (Ų)
0.26
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL1827 | IC50 | 8.89 | 8.89 | 1.3 | 2 |
| Cone cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha' CHEMBL3977 | IC50 | 6.41 | 6.41 | 386.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | 45.0 | % | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 1.3 | nM | 8.89 | Inhibition of human corpus cavernosum PDE5 | 16759100 |
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 1.3 | nM | 8.89 | Inhibition of human corpus cavernosum PDE5 by scintillation proximity assay | 18951784 |
| Cone cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha' | IC50 | = | 386.0 | nM | 6.41 | Inhibition of canine retinal cone PDE6 | 16759100 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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 | Homo sapiens | 1 |
| 18951784 | 10.1016/j.bmcl.2008.10.037 | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
| 18951784 | 10.1016/j.bmcl.2008.10.037 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine