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Compound Detail

CHEMBL157535

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COc1ccc(C(C)(C)Cn2ccnc2O)cc1OC1CCCC1

Basic Information

ChEMBL ID CHEMBL157535
Phase Preclinical
Structure Type MOL
InChI Key UHHRQVCUEFYSNI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

330.4
MW (Da)
3.90
ALogP
5
HBA
1
HBD
56.5
PSA (Ų)
0.87
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H26N2O3
MW 330.43
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.27

Activity Summary

IC50 1 meas. best 6.43

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
3',5'-cyclic-AMP phosphodiesterase 4B
CHEMBL275
IC50 6.43 6.43 367.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
11844693 10.1016/s0960-894x(01)00817-4 3',5'-cyclic-AMP phosphodiesterase 4B 1
11844693 10.1016/s0960-894x(01)00817-4 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine