Compound Detail
CHEMBL178693
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Cc1ncc(-c2cnc(N3Cc4c(nc5ccccc5c4O)C3c3ccc4c(c3)CCO4)nc2)n1Cc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL178693 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DSHDAYCKUUJXPF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
552.6
MW (Da)
6.00
ALogP
8
HBA
1
HBD
89.2
PSA (Ų)
0.28
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL4567 | Ki | 9.62 | 9.62 | 0.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase | Ki | = | 0.24 | nM | 9.62 | Inhibition of phosphodiesterase 5 in rat fetal lung fibroblast (RFL-6) cells | 15771456 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15771456 | 10.1021/jm0401098 | Unchecked | 6 |
| 15771456 | 10.1021/jm0401098 | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
Data from ChEMBL 36 via Core Engine