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Compound Detail

CHEMBL77177

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COc1ccc(/C=N/N=C(N)N)cc1OC1CCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL77177
Phase Preclinical
Structure Type MOL
InChI Key YKAJIJIRGVGKAB-RQZCQDPDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

276.3
MW (Da)
1.62
ALogP
4
HBA
2
HBD
95.2
PSA (Ų)
0.49
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 C14H20N4O2
MW 276.34
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -0.22

Literature References

PubMed DOI Target Context # Activities
12824033 10.1016/s0960-894x(03)00405-0 Phosphodiesterase 4 3

Data from ChEMBL 36 via Core Engine