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Compound Detail

CHEMBL3764466

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COc1ccc(-c2nn(C3CCCCCC3)c(=O)c3ccccc23)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3764466
Phase Preclinical
Structure Type MOL
InChI Key WYJKZBZFPAASPV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

378.5
MW (Da)
4.98
ALogP
5
HBA
0
HBD
53.4
PSA (Ų)
0.60
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H26N2O3
MW 378.47
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.73

Literature References

PubMed DOI Target Context # Activities
26935942 10.1016/j.bmc.2016.02.032 Class 1 phosphodiesterase PDEB1 1

Data from ChEMBL 36 via Core Engine