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Compound Detail

CHEMBL1915310

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CCOc1ccc(C(=O)c2ccc(Cl)c(Cl)c2)cc1OCC

Basic Information

ChEMBL ID CHEMBL1915310
Phase Preclinical
Structure Type MOL
InChI Key UAFDCALRAPKLSH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

339.2
MW (Da)
5.02
ALogP
3
HBA
0
HBD
35.5
PSA (Ų)
0.69
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H16Cl2O3
MW 339.22
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.91

Activity Summary

IC50 1 meas. best 5.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 5.1 5.1 7900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 7900.0 nM 5.1 Inhibition of bovine aortic PDE4 using cAMP as substrate in presence of cGMP 21920746

Literature References

PubMed DOI Target Context # Activities
21920746 10.1016/j.bmcl.2011.08.036 Unchecked 1

Data from ChEMBL 36 via Core Engine