Compound Detail
CHEMBL440878
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Basic Information
| ChEMBL ID | CHEMBL440878 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MRBFFQVXMIGKST-NWDGAFQWSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
286.3
MW (Da)
2.12
ALogP
4
HBA
1
HBD
59.9
PSA (Ų)
0.87
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase 4 CHEMBL2093863 | IC50 | 7.3 | 7.15 | 50.1 | 2 |
| 3',5'-cyclic-AMP phosphodiesterase 4D CHEMBL288 | IC50 | 7.07 | 6.87 | 85.0 | 2 |
| Blood CHEMBL613615 | IC50 | 6.68 | 6.68 | 207.3 | 1 |
| Class 1 phosphodiesterase PDEB1 CHEMBL2010636 | IC50 | 4.9 | 4.9 | 12589.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphodiesterase 4 | IC50 | = | 50.12 | nM | 7.3 | Inhibitory activity against phosphodiesterase 4 carried out in the cytosol of hu... | 12036361 |
| 3',5'-cyclic-AMP phosphodiesterase 4D | IC50 | = | 85.0 | nM | 7.07 | Inhibition of human recombinant PDE4D catalytic domain cloned from human HL60 ce... | 19744860 |
| Phosphodiesterase 4 | IC50 | = | 100.0 | nM | 7.0 | Inhibition of PDE4 in the cytosol of human neutrophils | 11472205 |
| Blood | IC50 | = | 207.3 | nM | 6.68 | Antiinflammatory activity against Sprague-Dawley rat whole blood assessed as sup... | 19744860 |
| 3',5'-cyclic-AMP phosphodiesterase 4D | IC50 | = | 213.0 | nM | 6.67 | Inhibition of PDE4D2 assessed as cAMP hydrolysis | 19740668 |
| Class 1 phosphodiesterase PDEB1 | IC50 | = | 12589.25 | nM | 4.9 | Inhibition of recombinant Trypanosoma brucei PDEB1 using [3H]-cAMP as substrate ... | 26935942 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19740668 | 10.1016/j.bmc.2009.08.025 | Sodium-dependent dopamine transporter | 2 |
| 19740668 | 10.1016/j.bmc.2009.08.025 | Sodium-dependent serotonin transporter | 2 |
| 19740668 | 10.1016/j.bmc.2009.08.025 | Sodium-dependent noradrenaline transporter | 2 |
| 11472205 | 10.1021/jm010837k | Phosphodiesterase 4 | 1 |
| 12036361 | 10.1021/jm0110338 | Phosphodiesterase 4 | 1 |
| 19744860 | 10.1016/j.bmc.2009.08.014 | 3',5'-cyclic-AMP phosphodiesterase 4D | 1 |
| 19744860 | 10.1016/j.bmc.2009.08.014 | Blood | 1 |
| 19740668 | 10.1016/j.bmc.2009.08.025 | 3',5'-cyclic-AMP phosphodiesterase 4D | 1 |
| 26935942 | 10.1016/j.bmc.2016.02.032 | Class 1 phosphodiesterase PDEB1 | 1 |
Data from ChEMBL 36 via Core Engine