Compound Detail
CHEMBL54079
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Basic Information
| ChEMBL ID | CHEMBL54079 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MXQUEDUMKWBYHI-UHFFFAOYSA-N |
3
Targets
9
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
312.4
MW (Da)
2.67
ALogP
5
HBA
1
HBD
72.8
PSA (Ų)
0.79
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 9 meas. best 7.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL1827 | IC50 | 7.57 | 7.5214 | 26.9 | 7 |
| Phosphodiesterase 1 CHEMBL2095150 | IC50 | 6.1 | 6.1 | 790.0 | 1 |
| Phosphodiesterase 1 CHEMBL2111322 | IC50 | 6.1 | 6.1 | 790.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 27.0 | nM | 7.57 | Inhibition of Phosphodiesterase 5 from human corpus cavernosum | - |
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 27.0 | nM | 7.57 | Inhibition of Phosphodiesterase 5 from rabbit platelets | - |
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 27.0 | nM | 7.57 | Inhibition of phosphodiesterase 5 | 15993055 |
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 26.92 | nM | 7.57 | Inhibition of PDE5 | 18656371 |
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 27.0 | nM | 7.57 | Inhibition of human corpus cavernosum PDE5 | 33314936 |
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 40.0 | nM | 7.4 | Inhibition of Phosphodiesterase 5 | 11958981 |
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 39.81 | nM | 7.4 | Inhibition of PDE5 | 18656371 |
| Phosphodiesterase 1 | IC50 | = | 790.0 | nM | 6.1 | Inhibition of Phosphodiesterase 1 from rat liver | - |
| Phosphodiesterase 1 | IC50 | = | 790.0 | nM | 6.1 | Inhibition of phosphodiesterase 1 | 15993055 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(96)00323-X | cGMP-specific 3',5'-cyclic phosphodiesterase | 2 |
| 18656371 | 10.1016/j.bmc.2008.07.022 | cGMP-specific 3',5'-cyclic phosphodiesterase | 2 |
| - | 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 | No relevant target | 1 |
| 11958981 | 10.1016/s0960-894x(02)00030-6 | Phosphodiesterase 1 | 1 |
| 11958981 | 10.1016/s0960-894x(02)00030-6 | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
| 11958981 | 10.1016/s0960-894x(02)00030-6 | Phosphodiesterase 3 | 1 |
| 11958981 | 10.1016/s0960-894x(02)00030-6 | Phosphodiesterase 4 | 1 |
| 15993055 | 10.1016/j.bmcl.2005.05.090 | Phosphodiesterase 1 | 1 |
| 15993055 | 10.1016/j.bmcl.2005.05.090 | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
| 22370268 | 10.1016/j.bmcl.2012.01.119 | Class 1 phosphodiesterase PDEB1 | 1 |
| 33314936 | 10.1021/acs.jmedchem.0c01093 | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
Data from ChEMBL 36 via Core Engine