Compound Detail
CHEMBL1179483
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COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccc(OCc3ccccn3)cc2c(=O)n1-c1ccc(N)cc1
Basic Information
| ChEMBL ID | CHEMBL1179483 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ORZROTLRYOYVPB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
567.6
MW (Da)
5.03
ALogP
10
HBA
1
HBD
124.1
PSA (Ų)
0.19
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL1827 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 1.0 | nM | 9.0 | Inhibition of PDE5 (unknown origin) | 25442307 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25442307 | 10.1016/j.bmcl.2014.09.082 | Unchecked | 2 |
| 25442307 | 10.1016/j.bmcl.2014.09.082 | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
Data from ChEMBL 36 via Core Engine