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Compound Detail

CHEMBL4763886

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CCCCCn1c(-c2ccc([N+](=O)[O-])cc2)nc2c(N)ccnc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4763886
Phase Preclinical
Structure Type MOL
InChI Key QTAPEBFVEGZZME-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

325.4
MW (Da)
3.78
ALogP
6
HBA
1
HBD
99.9
PSA (Ų)
0.42
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H19N5O2
MW 325.37
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.26

Literature References

PubMed DOI Target Context # Activities
33022582 10.1016/j.ejmech.2020.112854 3',5'-cyclic-AMP phosphodiesterase 4B 1
33022582 10.1016/j.ejmech.2020.112854 High affinity 3',5'-cyclic-AMP phosphodiesterase 7A 1

Data from ChEMBL 36 via Core Engine