Compound Detail
CHEMBL4639286
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CC(C)n1ncc2c(=O)n(Cc3ccc4c(c3)OCO4)c(N[C@H](C)c3ccc(Cl)cc3)nc21
Basic Information
| ChEMBL ID | CHEMBL4639286 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NVVBZIPZXQRGQE-OAHLLOKOSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
465.9
MW (Da)
4.78
ALogP
8
HBA
1
HBD
83.2
PSA (Ų)
0.44
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.7
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 | 7.7 | 7.7 | 20.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.02667 | 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 | = | 20.0 | nM | 7.7 | Inhibition of PDE1C2 (147 to 531 residues) (unknown origin) using [3H]-cGMP subs... | 32603117 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32603117 | 10.1021/acs.jmedchem.0c00711 | Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C | 1 |
| 32603117 | 10.1021/acs.jmedchem.0c00711 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine