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Compound Detail

CHEMBL1794670

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CCOC(=O)c1c(C)nn(-c2ccccc2)c1C

Basic Information

ChEMBL ID CHEMBL1794670
Phase Preclinical
Structure Type MOL
InChI Key BUIZDUYEIRRDAV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

244.3
MW (Da)
2.67
ALogP
4
HBA
0
HBD
44.1
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C14H16N2O2
MW 244.29
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -1.77

Activity Summary

IC50 1 meas. best 6.57

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
3',5'-cyclic-AMP phosphodiesterase 4D
CHEMBL288
IC50 6.57 6.57 270.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
26908025 10.1021/acs.jmedchem.5b01813 3',5'-cyclic-AMP phosphodiesterase 4D 1

Data from ChEMBL 36 via Core Engine