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Compound Detail

CHEMBL2158062

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COc1ccc([C@@H]2CC(=O)N(C)C2)cc1OC1CCCC1

Basic Information

ChEMBL ID CHEMBL2158062
Phase Preclinical
Structure Type MOL
InChI Key CFODIQZSRVSRRB-CYBMUJFWSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

289.4
MW (Da)
2.96
ALogP
3
HBA
0
HBD
38.8
PSA (Ų)
0.86
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 C17H23NO3
MW 289.38
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -0.01

Activity Summary

IC50 1 meas. best 5.62

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
3',5'-cyclic-AMP phosphodiesterase 4A
CHEMBL254
IC50 5.62 5.62 2400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
21456625 10.1021/jm200070e 3',5'-cyclic-AMP phosphodiesterase 4A 1

Data from ChEMBL 36 via Core Engine