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Compound Detail

CHEMBL144823

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COc1ccc([C@H]2CCN3C(=O)OC[C@H]23)cc1OC1CCCC1

Basic Information

ChEMBL ID CHEMBL144823
Phase Preclinical
Structure Type MOL
InChI Key BKNKLCIFIKUCEU-HUUCEWRRSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

317.4
MW (Da)
3.32
ALogP
4
HBA
0
HBD
48.0
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H23NO4
MW 317.39
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness 0.32

Activity Summary

Ki 1 meas. best 7.16

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
3',5'-cyclic-AMP phosphodiesterase 4B
CHEMBL275
Ki 7.16 7.16 70.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
3',5'-cyclic-AMP phosphodiesterase 4B Ki = 70.0 nM 7.16 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