Compound Detail
CHEMBL5572409
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Basic Information
| ChEMBL ID | CHEMBL5572409 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FSZLRNUCEPUNJQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
1
PK Parameters
6
Publications
0
Known Names
Molecular Properties
424.5
MW (Da)
3.68
ALogP
7
HBA
1
HBD
77.6
PSA (Ų)
0.53
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C CHEMBL4619 | IC50 | 8.35 | 8.35 | 4.5 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 5.45 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C | IC50 | = | 4.5 | nM | 8.35 | Inhibition of PDE1C (unknown origin) expressed in Escherichia coli BL21 using [3... | 38000211 |
| Unchecked | IC50 | = | 40.0 | nM | 7.4 | Inhibition of PDE1 (unknown origin) | 38614063 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38000211 | 10.1016/j.ejmech.2023.115967 | Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C | 1 |
| 38000211 | 10.1016/j.ejmech.2023.115967 | cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A | 1 |
| 38000211 | 10.1016/j.ejmech.2023.115967 | ADMET | 1 |
| 38000211 | 10.1016/j.ejmech.2023.115967 | High affinity 3',5'-cyclic-AMP phosphodiesterase 7A | 1 |
| 38000211 | 10.1016/j.ejmech.2023.115967 | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | 1 |
| 38614063 | 10.1016/j.ejmech.2024.116386 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine