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Compound Detail

CHEMBL5589872

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CCOc1nc(-c2cccs2)cc2c1cnn2C1CCOCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5589872
Phase Preclinical
Structure Type MOL
InChI Key AJDFVBADUVNSJH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

329.4
MW (Da)
3.91
ALogP
6
HBA
0
HBD
49.2
PSA (Ų)
0.73
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H19N3O2S
MW 329.42
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -2.05

Literature References

PubMed DOI Target Context # Activities
38156615 10.1021/acs.jmedchem.3c02087 3',5'-cyclic-AMP phosphodiesterase 4D 3

Data from ChEMBL 36 via Core Engine