Compound Detail
CHEMBL117108
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Basic Information
| ChEMBL ID | CHEMBL117108 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XITKIGBKTNSGCP-UHFFFAOYSA-N |
5
Targets
5
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
317.4
MW (Da)
4.97
ALogP
4
HBA
1
HBD
37.8
PSA (Ų)
0.58
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.14
EC50 1 meas. best 5.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL1827 | IC50 | 6.14 | 6.14 | 720.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.65 | 5.65 | 2242.0 | 1 |
| Phosphodiesterase 4 CHEMBL2094267 | IC50 | 5.12 | 5.12 | 7600.0 | 1 |
| Phosphodiesterase 1 CHEMBL2097166 | IC50 | 4.89 | 4.89 | 13000.0 | 1 |
| cGMP-dependent 3',5'-cyclic phosphodiesterase CHEMBL4650 | IC50 | 4.68 | 4.68 | 21000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 720.0 | nM | 6.14 | Inhibitory activity against phosphodiesterase 5 from human platelets | 7658441 |
| Unchecked | EC50 | = | 2242.0 | nM | 5.65 | PubChem BioAssay. Leishmania major promastigote EC50 determinations. (Class of... | - |
| Phosphodiesterase 4 | IC50 | = | 7600.0 | nM | 5.12 | Inhibition of rat kidney Phosphodiesterase 4 | 7658441 |
| Phosphodiesterase 1 | IC50 | = | 13000.0 | nM | 4.89 | Inhibition of bovine aorta Phosphodiesterase 1 | 7658441 |
| cGMP-dependent 3',5'-cyclic phosphodiesterase | IC50 | = | 21000.0 | nM | 4.68 | Inhibition of rat brain Phosphodiesterase 2 | 7658441 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7658441 | 10.1021/jm00018a014 | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
| 7658441 | 10.1021/jm00018a014 | Phosphodiesterase 1 | 1 |
| 7658441 | 10.1021/jm00018a014 | cGMP-dependent 3',5'-cyclic phosphodiesterase | 1 |
| 7658441 | 10.1021/jm00018a014 | Phosphodiesterase 3 | 1 |
| 7658441 | 10.1021/jm00018a014 | Phosphodiesterase 4 | 1 |
Data from ChEMBL 36 via Core Engine