Compound Detail
CHEMBL4217364
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Basic Information
| ChEMBL ID | CHEMBL4217364 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GTSZATFSVLYIRU-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
439.5
MW (Da)
2.75
ALogP
7
HBA
3
HBD
122.1
PSA (Ų)
0.37
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL1827 | IC50 | 7.22 | 7.22 | 60.0 | 2 |
| Histone deacetylase 6 CHEMBL1865 | IC50 | 7.09 | 7.09 | 81.0 | 1 |
| Histone deacetylase 1 CHEMBL325 | IC50 | 6.51 | 6.51 | 309.0 | 2 |
| cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A CHEMBL241 | IC50 | 5.75 | 5.75 | 1800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 60.0 | nM | 7.22 | Inhibition of N-terminal GST-tagged full-length recombinant human PDE5A1 (1 to 8... | 33143937 |
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 60.3 | nM | 7.22 | Inhibition of PDE5A (unknown origin) | 38614063 |
| Histone deacetylase 6 | IC50 | = | 81.0 | nM | 7.09 | Inhibition of full-length recombinant human HDAC6 (1 to 1215 residues) expressed... | 33143937 |
| Histone deacetylase 1 | IC50 | = | 310.0 | nM | 6.51 | Inhibition of C-terminal 6xHis/FLAG-tagged full-length recombinant human HDAC1 (... | 33143937 |
| Histone deacetylase 1 | IC50 | = | 309.0 | nM | 6.51 | Inhibition of HDAC1 (unknown origin) | 38614063 |
| cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A | IC50 | = | 1800.0 | nM | 5.75 | Inhibition of PDE3A (unknown origin) using FAM-cGMP as substrate by fluorescence... | 29549837 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29549837 | 10.1016/j.ejmech.2018.03.005 | Mus musculus | 1 |
| 29549837 | 10.1016/j.ejmech.2018.03.005 | cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A | 1 |
| 33143937 | 10.1016/j.ejmech.2020.112844 | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | 1 |
| 33143937 | 10.1016/j.ejmech.2020.112844 | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
| 33143937 | 10.1016/j.ejmech.2020.112844 | Histone deacetylase 1 | 1 |
| 33143937 | 10.1016/j.ejmech.2020.112844 | Histone deacetylase 6 | 1 |
| 38614063 | 10.1016/j.ejmech.2024.116386 | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
| 38614063 | 10.1016/j.ejmech.2024.116386 | Histone deacetylase 1 | 1 |
Data from ChEMBL 36 via Core Engine