Compound Detail
CHEMBL72650
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 | CHEMBL72650 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WXCHSHPXEPXKFN-UHFFFAOYSA-N |
5
Targets
5
Activities
2
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
311.4
MW (Da)
4.91
ALogP
3
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 6.5
Ki 1 meas. best 5.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL1827 | IC50 | 6.5 | 6.5 | 320.0 | 1 |
| Sodium-dependent dopamine transporter CHEMBL338 | Ki | 5.1 | 5.1 | 7900.0 | 1 |
| Phosphodiesterase 4 CHEMBL2094267 | IC50 | 5.09 | 5.09 | 8200.0 | 1 |
| Phosphodiesterase 1 CHEMBL2097166 | IC50 | 4.65 | 4.65 | 22500.0 | 1 |
| cGMP-dependent 3',5'-cyclic phosphodiesterase CHEMBL4650 | IC50 | 4.62 | 4.62 | 24000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 320.0 | nM | 6.5 | Inhibitory activity against phosphodiesterase 5 from human platelets | 7658441 |
| Sodium-dependent dopamine transporter | Ki | = | 7900.0 | nM | 5.1 | Displacement of [125I]RTI-55 from Dopamine transporter of rat caudate membranes | 12127543 |
| Phosphodiesterase 4 | IC50 | = | 8200.0 | nM | 5.09 | Inhibition of rat kidney Phosphodiesterase 4 | 7658441 |
| Phosphodiesterase 1 | IC50 | = | 22500.0 | nM | 4.65 | Inhibition of bovine aorta Phosphodiesterase 1 | 7658441 |
| cGMP-dependent 3',5'-cyclic phosphodiesterase | IC50 | = | 24000.0 | nM | 4.62 | 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 |
| 12127543 | 10.1016/s0960-894x(02)00348-7 | Sodium-dependent dopamine transporter | 1 |
| 12127543 | 10.1016/s0960-894x(02)00348-7 | Sodium-dependent serotonin transporter | 1 |
| 21684168 | 10.1016/j.bmc.2011.05.012 | A549 | 1 |
| 21684168 | 10.1016/j.bmc.2011.05.012 | HCT-15 | 1 |
| 21684168 | 10.1016/j.bmc.2011.05.012 | SK-OV-3 | 1 |
| 21684168 | 10.1016/j.bmc.2011.05.012 | SK-MEL-2 | 1 |
| 21684168 | 10.1016/j.bmc.2011.05.012 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine