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Compound Detail

CHEMBL3315071

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COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c(OC)c1OC

Basic Information

ChEMBL ID CHEMBL3315071
Phase Preclinical
Structure Type MOL
InChI Key UZPDIDQXBHSLFB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

357.2
MW (Da)
3.67
ALogP
5
HBA
1
HBD
69.7
PSA (Ų)
0.88
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 C15H14Cl2N2O4
MW 357.19
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.87

Activity Summary

IC50 1 meas. best 5.42

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
3',5'-cyclic-AMP phosphodiesterase 4D
CHEMBL288
IC50 5.42 5.42 3790.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
24984230 10.1021/jm500378a 3',5'-cyclic-AMP phosphodiesterase 4D 1
24984230 10.1021/jm500378a PBMC 1

Data from ChEMBL 36 via Core Engine