Compound Detail
CHEMBL1911416
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Basic Information
| ChEMBL ID | CHEMBL1911416 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MWFHVQNNTSBGCH-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
476.5
MW (Da)
3.81
ALogP
6
HBA
1
HBD
76.5
PSA (Ų)
0.47
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase 4 CHEMBL2093863 | IC50 | 6.42 | 6.42 | 380.0 | 1 |
| 3',5'-cyclic-AMP phosphodiesterase 4A CHEMBL254 | IC50 | 6.42 | 6.42 | 379.0 | 1 |
| High affinity 3',5'-cyclic-AMP phosphodiesterase 7A CHEMBL3012 | IC50 | 6.09 | 6.085 | 820.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4A | IC50 | = | 379.0 | nM | 6.42 | Inhibition of human recombinant PDE4A4 expressed in baculovirus infected insect ... | 21983442 |
| Phosphodiesterase 4 | IC50 | = | 380.0 | nM | 6.42 | Inhibition of PDE4 (unknown origin) by fluorescent based assay | 36796299 |
| High affinity 3',5'-cyclic-AMP phosphodiesterase 7A | IC50 | = | 820.0 | nM | 6.09 | Inhibition of recombinant PDE7A1 (130 to 482 residues) (unknown origin) expresse... | 36796299 |
| High affinity 3',5'-cyclic-AMP phosphodiesterase 7A | IC50 | = | 823.0 | nM | 6.08 | Inhibition of human recombinant PDE7A1 expressed in baculovirus infected insect ... | 21983442 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21983442 | 10.1016/j.bmcl.2011.09.065 | High affinity 3',5'-cyclic-AMP phosphodiesterase 7A | 1 |
| 21983442 | 10.1016/j.bmcl.2011.09.065 | 3',5'-cyclic-AMP phosphodiesterase 4A | 1 |
| 36796299 | 10.1016/j.ejmech.2023.115194 | High affinity 3',5'-cyclic-AMP phosphodiesterase 7A | 1 |
| 36796299 | 10.1016/j.ejmech.2023.115194 | Phosphodiesterase 4 | 1 |
Data from ChEMBL 36 via Core Engine