Compound Detail
CHEMBL305617
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Basic Information
| ChEMBL ID | CHEMBL305617 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PBUMHNKGQPUNMR-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
329.4
MW (Da)
1.71
ALogP
5
HBA
2
HBD
60.0
PSA (Ų)
0.81
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase 1 CHEMBL2097166 | IC50 | 7.85 | 7.85 | 14.0 | 1 |
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL3478 | IC50 | 7.58 | 7.58 | 26.0 | 1 |
| Phosphodiesterase 4 CHEMBL2093863 | IC50 | 5.28 | 5.28 | 5200.0 | 1 |
| cGMP-dependent 3',5'-cyclic phosphodiesterase CHEMBL3477 | IC50 | 4.92 | 4.92 | 12000.0 | 1 |
| Phosphodiesterase 3B CHEMBL5129 | IC50 | 4.24 | 4.24 | 57000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphodiesterase 1 | IC50 | = | 14.0 | nM | 7.85 | Evaluated for inhibitory activity against Phosphodiesterase 1 (PDE1) purified fr... | 9216839 |
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 26.0 | nM | 7.58 | Evaluated for inhibitory activity against Phosphodiesterase 5 (PDE5) purified fr... | 9216839 |
| Phosphodiesterase 4 | IC50 | = | 5200.0 | nM | 5.28 | Inhibition of canine kidney Phosphodiesterase 4 (PDE4) | 9216839 |
| cGMP-dependent 3',5'-cyclic phosphodiesterase | IC50 | = | 12000.0 | nM | 4.92 | Inhibition of recombinant bovine adrenal cortex Phosphodiesterase 2 (PDE2) | 9216839 |
| Phosphodiesterase 3B | IC50 | = | 57000.0 | nM | 4.24 | Inhibitory activity against phosphodiesterase 3 (PDE3) purified from bovine hear... | 9216839 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9216839 | 10.1021/jm9608467 | Phosphodiesterase 1 | 1 |
| 9216839 | 10.1021/jm9608467 | Phosphodiesterase 3B | 1 |
| 9216839 | 10.1021/jm9608467 | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
| 9216839 | 10.1021/jm9608467 | cGMP-dependent 3',5'-cyclic phosphodiesterase | 1 |
| 9216839 | 10.1021/jm9608467 | Phosphodiesterase 4 | 1 |
| 9216839 | 10.1021/jm9608467 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine