Compound Detail
CHEMBL394999
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O=C1[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc4c(c3)OCO4)N2C(=O)CN1c1ccc([N+](=O)[O-])cc1
Basic Information
| ChEMBL ID | CHEMBL394999 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PFSFJMUEPQBTPQ-QFQXNSOFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
496.5
MW (Da)
3.69
ALogP
6
HBA
1
HBD
118.0
PSA (Ų)
0.34
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL3478 | IC50 | 6.91 | 6.91 | 122.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 122.0 | nM | 6.91 | Inhibition of bovine PDE5 after 24 hrs by HTRF | 17107795 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17107795 | 10.1016/j.bmcl.2006.10.069 | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
Data from ChEMBL 36 via Core Engine