Compound Detail
CHEMBL137400
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL137400 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FDOVMJSEGUQXQX-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
349.4
MW (Da)
2.59
ALogP
5
HBA
0
HBD
53.7
PSA (Ų)
0.84
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase 1 CHEMBL2097166 | IC50 | 7.22 | 7.22 | 60.0 | 1 |
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL3478 | IC50 | 7.12 | 7.12 | 75.0 | 1 |
| Phosphodiesterase 4 CHEMBL2093863 | IC50 | 6.64 | 6.64 | 230.0 | 1 |
| cGMP-dependent 3',5'-cyclic phosphodiesterase CHEMBL3477 | IC50 | 4.96 | 4.96 | 11000.0 | 1 |
| Phosphodiesterase 3B CHEMBL5129 | IC50 | 4.26 | 4.26 | 55000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphodiesterase 1 | IC50 | = | 60.0 | nM | 7.22 | Inhibition of phosphodiesterases PDE1 from bovine aorta | 9435906 |
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 75.0 | nM | 7.12 | Inhibition of phosphodiesterase 5 from bovine lung | 9435906 |
| Phosphodiesterase 4 | IC50 | = | 230.0 | nM | 6.64 | Inhibition of phosphodiesterase PDE4 from canine kidney | 9435906 |
| cGMP-dependent 3',5'-cyclic phosphodiesterase | IC50 | = | 11000.0 | nM | 4.96 | Inhibition of Phosphodiesterase 2 from bovine adrenal cortex | 9435906 |
| Phosphodiesterase 3B | IC50 | = | 55000.0 | nM | 4.26 | Inhibition of Phosphodiesterase 3 from bovine heart | 9435906 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9435906 | 10.1021/jm970495b | Phosphodiesterase 1 | 1 |
| 9435906 | 10.1021/jm970495b | cGMP-dependent 3',5'-cyclic phosphodiesterase | 1 |
| 9435906 | 10.1021/jm970495b | Phosphodiesterase 3B | 1 |
| 9435906 | 10.1021/jm970495b | Phosphodiesterase 4 | 1 |
| 9435906 | 10.1021/jm970495b | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
| 9435906 | 10.1021/jm970495b | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine