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Compound Detail

CHEMBL4216676

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CCOc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCC(=O)N/N=C/c1ccc(OC)cc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4216676
Phase Preclinical
Structure Type MOL
InChI Key DNGNTENERHNMOE-WSDLNYQXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

458.5
MW (Da)
0.48
ALogP
11
HBA
2
HBD
142.0
PSA (Ų)
0.35
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H26N6O6
MW 458.48
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.39

Literature References

PubMed DOI Target Context # Activities
29407965 10.1016/j.ejmech.2018.01.068 3',5'-cyclic-AMP phosphodiesterase 4B 1
29407965 10.1016/j.ejmech.2018.01.068 High affinity 3',5'-cyclic-AMP phosphodiesterase 7A 1

Data from ChEMBL 36 via Core Engine