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Compound Detail

CHEMBL4786766

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OCCCNc1nccc2c1nc(-c1ccco1)n2C1CCCC1

Basic Information

ChEMBL ID CHEMBL4786766
Phase Preclinical
Structure Type MOL
InChI Key UTCZZFOWDWLUGC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

326.4
MW (Da)
3.60
ALogP
6
HBA
2
HBD
76.1
PSA (Ų)
0.68
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 C18H22N4O2
MW 326.40
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.01

Activity Summary

IC50 1 meas. best 4.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
3',5'-cyclic-AMP phosphodiesterase 4B
CHEMBL275
IC50 4.72 4.72 19020.0 1

Activity Data Samples

Top measurements by pChEMBL value

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