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Compound Detail

CHEMBL423743

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COc1ccc(CC2CNC(=O)N2)cc1OC1CCCC1

Basic Information

ChEMBL ID CHEMBL423743
Phase Preclinical
Structure Type MOL
InChI Key YOFWLAASFMHLAD-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

290.4
MW (Da)
2.24
ALogP
3
HBA
2
HBD
59.6
PSA (Ų)
0.87
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 C16H22N2O3
MW 290.36
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness 0.60

Activity Summary

Ki 1 meas. best 6.35

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
3',5'-cyclic-AMP phosphodiesterase 4B
CHEMBL275
Ki 6.35 6.35 447.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
3',5'-cyclic-AMP phosphodiesterase 4B Ki = 447.0 nM 6.35 Inhibition of human Phosphodiesterase 4B 7490734

Literature References

PubMed DOI Target Context # Activities
7490734 10.1021/jm00024a012 3',5'-cyclic-AMP phosphodiesterase 4B 1

Data from ChEMBL 36 via Core Engine