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Compound Detail

CHEMBL32226

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CCCCOc1cccc(C2CNC(=O)C2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL32226
Phase Preclinical
Structure Type MOL
InChI Key KHMXCGYQGBEUOJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

233.3
MW (Da)
2.47
ALogP
2
HBA
1
HBD
38.3
PSA (Ų)
0.79
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H19NO2
MW 233.31
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -0.01

Literature References

PubMed DOI Target Context # Activities
2544722 10.1021/jm00127a009 Phosphodiesterase 1 1
2544722 10.1021/jm00127a009 cGMP-specific 3',5'-cyclic phosphodiesterase 1
2544722 10.1021/jm00127a009 Phosphodiesterase 4 1

Data from ChEMBL 36 via Core Engine