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Compound Detail

CHEMBL169911

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O=C(NCc1ccc(F)cc1)c1cccnc1Oc1ccc(F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL169911
Phase Preclinical
Structure Type MOL
InChI Key OBGJFEVKZBCMIZ-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

340.3
MW (Da)
4.08
ALogP
3
HBA
1
HBD
51.2
PSA (Ų)
0.76
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 C19H14F2N2O2
MW 340.33
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.65

Activity Summary

IC50 2 meas. best 5.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphodiesterase 4
CHEMBL2094267
 IC50 5.4 4.845 4000.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Phosphodiesterase 4 IC50 = 4000.0 nM 5.4 Inhibition of [3H]cAMP (NEN NET-275) binding to Calcium-Independent Phosphodiest... 1825116
Phosphodiesterase 4 IC50 = 51000.0 nM 4.29 Inhibition of [3H]rolipram binding to rat brain membranes. 1825116

Literature References

PubMed DOI Target Context # Activities
1825116 10.1021/jm00105a015 Phosphodiesterase 4 2
1825116 10.1021/jm00105a015 Mus musculus 1

Data from ChEMBL 36 via Core Engine