Compound Detail
CHEMBL5568686
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Cn1c(=O)c2c(Nc3ccccc3)n(Cc3ccc(-c4cccc(F)n4)cc3)nc2n(CC2CC2)c1=O
Basic Information
| ChEMBL ID | CHEMBL5568686 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NOQWCXKIMBYHSU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
496.6
MW (Da)
4.30
ALogP
8
HBA
1
HBD
86.7
PSA (Ų)
0.34
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B CHEMBL4425 | IC50 | 8.42 | 8.42 | 3.8 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.075 | 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 1B | IC50 | = | 3.8 | nM | 8.42 | Inhibition of PDE1B (unknown origin) using [3H]-cGMP substrate incubated for 15 ... | 38000211 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38000211 | 10.1016/j.ejmech.2023.115967 | Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B | 1 |
| 38000211 | 10.1016/j.ejmech.2023.115967 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine