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Compound Detail

CHEMBL399898

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CNCc1oc(-c2ccc(OC)c3nc(C(F)(F)F)ccc23)nc1C(N)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL399898
Phase Preclinical
Structure Type MOL
InChI Key AMGCHWPBHACDMX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

380.3
MW (Da)
2.74
ALogP
6
HBA
2
HBD
103.3
PSA (Ų)
0.71
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 C17H15F3N4O3
MW 380.33
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.85

Activity Summary

IC50 1 meas. best 6.24

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
3',5'-cyclic-AMP phosphodiesterase 4B
CHEMBL275
 IC50 6.24 6.24 580.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
3',5'-cyclic-AMP phosphodiesterase 4B IC50 = 580.0 nM 6.24 Inhibition of PDE4B 17683932

Literature References

PubMed DOI Target Context # Activities
17683932 10.1016/j.bmcl.2007.06.092 3',5'-cyclic-AMP phosphodiesterase 4B 1

Data from ChEMBL 36 via Core Engine