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Compound Detail

CHEMBL4207716

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CCOc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCC(=O)N/N=C/c1ccccc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4207716
Phase Preclinical
Structure Type MOL
InChI Key OYYKTNVXDVMIIX-LPYMAVHISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

442.5
MW (Da)
0.77
ALogP
10
HBA
1
HBD
121.7
PSA (Ų)
0.39
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H26N6O5
MW 442.48
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.66

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