Compound Detail
CHEMBL5270640
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CC(C)Cn1c(=O)n(C)c(=O)c2c(Nc3ccccc3)n(Cc3ccc(C4CCCN4C)cc3)nc21
Basic Information
| ChEMBL ID | CHEMBL5270640 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BYLOKEGWOSSBIT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
486.6
MW (Da)
4.11
ALogP
8
HBA
1
HBD
77.1
PSA (Ų)
0.43
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase 1 CHEMBL2095150 | IC50 | 7.89 | 7.89 | 13.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphodiesterase 1 | IC50 | = | 13.0 | nM | 7.89 | Inhibition of PDE1 (unknown origin) | 34042442 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34042442 | 10.1021/acs.jmedchem.1c00115 | Phosphodiesterase 1 | 1 |
Data from ChEMBL 36 via Core Engine