Compound Detail
CHEMBL51814
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Basic Information
| ChEMBL ID | CHEMBL51814 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SRVVOQVTSUQJCP-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
284.3
MW (Da)
2.03
ALogP
5
HBA
1
HBD
72.8
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL1827 | IC50 | 6.5 | 6.485 | 316.2 | 4 |
| Phosphodiesterase 1 CHEMBL2111322 | IC50 | 5.48 | 5.48 | 3300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 316.23 | nM | 6.5 | Inhibition of PDE5 (unknown origin) | 29620890 |
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 330.0 | nM | 6.48 | Inhibition of Phosphodiesterase 5 from human corpus cavernosum | - |
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 331.13 | nM | 6.48 | Inhibition of PDE5 | 18656371 |
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 330.0 | nM | 6.48 | Inhibition of human corpus cavernosum PDE5 | 33314936 |
| Phosphodiesterase 1 | IC50 | = | 3300.0 | nM | 5.48 | Inhibition of Phosphodiesterase 1 from rat liver | - |
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 |
| 18656371 | 10.1016/j.bmc.2008.07.022 | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
| 29620890 | 10.1021/acs.jmedchem.8b00180 | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
| 33314936 | 10.1021/acs.jmedchem.0c01093 | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
Data from ChEMBL 36 via Core Engine