Compound Detail
CHEMBL339749
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Basic Information
| ChEMBL ID | CHEMBL339749 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SJCAKQQKKYOKDO-DEOSSOPVSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
425.5
MW (Da)
3.50
ALogP
4
HBA
1
HBD
71.0
PSA (Ų)
0.70
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase 4 CHEMBL2093863 | IC50 | 6.12 | 6.005 | 760.0 | 2 |
| Phosphodiesterase 3 CHEMBL2094125 | IC50 | 4.54 | 4.54 | 28800.0 | 1 |
| Phosphodiesterase, PDE1/PDE5 CHEMBL2097161 | IC50 | 4.3 | 4.22 | 50600.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphodiesterase 4 | IC50 | = | 760.0 | nM | 6.12 | Inhibition of phosphodiesterase 4 extracted from human U937 cells by using radio... | 10636238 |
| Phosphodiesterase 4 | IC50 | = | 1300.0 | nM | 5.89 | Inhibition of phosphodiesterase type 4 isozyme (PDE4) from the U937 human cell l... | 11123995 |
| Phosphodiesterase 3 | IC50 | = | 28800.0 | nM | 4.54 | Inhibition of phosphodiesterase 3 (PDE3) isolated from the dog aorta | 11123995 |
| Phosphodiesterase, PDE1/PDE5 | IC50 | = | 50600.0 | nM | 4.3 | Inhibition of phosphodiesterase 1/5 isozyme (PDE1/5) mixture isolated from the g... | 11123995 |
| Phosphodiesterase, PDE1/PDE5 | IC50 | = | 71700.0 | nM | 4.14 | Inhibitory activity against phosphodiesterase 1/5 (PDE1/5) extracted from guinea... | 10636238 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10636238 | 10.1016/s0960-894x(99)00573-9 | Phosphodiesterase 4 | 2 |
| 11123995 | 10.1021/jm000315p | Phosphodiesterase 4 | 1 |
| 11123995 | 10.1021/jm000315p | Phosphodiesterase 3 | 1 |
| 11123995 | 10.1021/jm000315p | Phosphodiesterase, PDE1/PDE5 | 1 |
| 10636238 | 10.1016/s0960-894x(99)00573-9 | Phosphodiesterase 3 | 1 |
| 10636238 | 10.1016/s0960-894x(99)00573-9 | Phosphodiesterase, PDE1/PDE5 | 1 |
Data from ChEMBL 36 via Core Engine