Compound Detail
CHEMBL4464637
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Basic Information
| ChEMBL ID | CHEMBL4464637 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HVZHKZZWGGXNFS-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
276.4
MW (Da)
2.92
ALogP
6
HBA
0
HBD
52.3
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A CHEMBL4409 | IC50 | 7.08 | 7.08 | 83.0 | 1 |
| cGMP-dependent 3',5'-cyclic phosphodiesterase CHEMBL2652 | IC50 | 5.31 | 5.31 | 4890.0 | 1 |
| 3',5'-cyclic-AMP phosphodiesterase 4D CHEMBL288 | IC50 | 5.11 | 5.11 | 7850.0 | 1 |
| cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A CHEMBL241 | IC50 | 4.78 | 4.78 | 16500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | IC50 | = | 83.0 | nM | 7.08 | Inhibition of recombinant human N-terminal His-tagged PDE10A2 expressed in HEK29... | 30587449 |
| cGMP-dependent 3',5'-cyclic phosphodiesterase | IC50 | = | 4890.0 | nM | 5.31 | Inhibition of human PDE2A using cAMP as substrate measured after 60 mins | 30587449 |
| 3',5'-cyclic-AMP phosphodiesterase 4D | IC50 | = | 7850.0 | nM | 5.11 | Inhibition of human full-length PDE4D2 expressed in Sf9 insect cells using cAMP ... | 30587449 |
| cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A | IC50 | = | 16500.0 | nM | 4.78 | Inhibition of human GST-tagged PDE3A (484 to end residues) using cAMP as substra... | 30587449 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30587449 | 10.1016/j.bmcl.2018.12.029 | ADMET | 2 |
| 30587449 | 10.1016/j.bmcl.2018.12.029 | 3',5'-cyclic-AMP phosphodiesterase 4D | 1 |
| 30587449 | 10.1016/j.bmcl.2018.12.029 | cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A | 1 |
| 30587449 | 10.1016/j.bmcl.2018.12.029 | cGMP-dependent 3',5'-cyclic phosphodiesterase | 1 |
| 30587449 | 10.1016/j.bmcl.2018.12.029 | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 1 |
Data from ChEMBL 36 via Core Engine