Compound Detail
CHEMBL270636
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Basic Information
| ChEMBL ID | CHEMBL270636 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MZLHVKLXPFHWBX-XFFZJAGNSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
295.4
MW (Da)
2.58
ALogP
5
HBA
1
HBD
47.6
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292 | IC50 | 7.22 | 7.22 | 60.2 | 1 |
| 3',5'-cyclic-AMP phosphodiesterase 4B CHEMBL275 | IC50 | 5.28 | 5.28 | 5300.0 | 1 |
| cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A CHEMBL241 | IC50 | 4.4 | 4.4 | 39810.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | IC50 | = | 60.2 | nM | 7.22 | Inhibition of DYRK1A (unknown origin) | 30243157 |
| 3',5'-cyclic-AMP phosphodiesterase 4B | IC50 | = | 5300.0 | nM | 5.28 | Inhibition of PDE4B | 18304812 |
| cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A | IC50 | = | 39810.0 | nM | 4.4 | Inhibition of PDE3A | 18304812 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18304812 | 10.1016/j.bmcl.2008.01.117 | 3',5'-cyclic-AMP phosphodiesterase 4B | 1 |
| 18304812 | 10.1016/j.bmcl.2008.01.117 | cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A | 1 |
| 30243157 | 10.1016/j.ejmech.2018.08.093 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 1 |
Data from ChEMBL 36 via Core Engine