Compound Detail
CHEMBL53538
LODENAFIL Enter ChEMBL ID:
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CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(CCO)CC4)ccc3OCC)nc12
Basic Information
| ChEMBL ID | CHEMBL53538 |
| Name | LODENAFIL |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NEYKRKVLEWKOBI-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
2
Known Names
Molecular Properties
504.6
MW (Da)
0.97
ALogP
9
HBA
2
HBD
133.7
PSA (Ų)
0.44
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Achiral |
Activity Summary
IC50 4 meas. best 8.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL1827 | IC50 | 8.72 | 8.22 | 1.9 | 2 |
| Phosphodiesterase 1 CHEMBL2111322 | IC50 | 6.34 | 6.34 | 460.0 | 1 |
| Phosphodiesterase 3 CHEMBL2094125 | IC50 | 4.21 | 4.21 | 62000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 1.905 | nM | 8.72 | Inhibition of PDE5 | 18656371 |
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 19.0 | nM | 7.72 | Inhibition of Phosphodiesterase 5 from rabbit platelets | - |
| Phosphodiesterase 1 | IC50 | = | 460.0 | nM | 6.34 | Inhibition of Phosphodiesterase 1 from rat liver | - |
| Phosphodiesterase 3 | IC50 | = | 62000.0 | nM | 4.21 | Inhibition of Phosphodiesterase 3 from rabbit platelets | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(96)00323-X | Phosphodiesterase 1 | 1 |
| - | 10.1016/0960-894X(96)00323-X | Phosphodiesterase 3 | 1 |
| - | 10.1016/0960-894X(96)00323-X | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
| - | 10.1016/0960-894X(96)00323-X | No relevant target | 1 |
| 18656371 | 10.1016/j.bmc.2008.07.022 | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
Data from ChEMBL 36 via Core Engine