Compound Detail
CHEMBL43665
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CCCOc1ccc(-c2n[nH]c(-c3ccccc3)n2)cc1-c1nc2c(c(C)nn2C)c(=O)[nH]1
Basic Information
| ChEMBL ID | CHEMBL43665 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RCAFDWRZBCCVMU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
441.5
MW (Da)
3.87
ALogP
7
HBA
2
HBD
114.4
PSA (Ų)
0.41
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL1827 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 81.0 | mmHg hr-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 20.0 | nM | 7.7 | Inhibition of Phosphodiesterase 5 from human | 8648603 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8648603 | 10.1021/jm950812j | cGMP-specific 3',5'-cyclic phosphodiesterase | 2 |
| 8648603 | 10.1021/jm950812j | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine