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Compound Detail

CHEMBL1915290

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CCOc1cc2c(cc1OCC)C(c1cccc(Cl)c1)=NNC(=O)C2

Basic Information

ChEMBL ID CHEMBL1915290
Phase Preclinical
Structure Type MOL
InChI Key OOHFTJDNTIGHPZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

358.8
MW (Da)
3.56
ALogP
4
HBA
1
HBD
59.9
PSA (Ų)
0.89
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 C19H19ClN2O3
MW 358.83
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.84

Activity Summary

IC50 1 meas. best 5.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 5.85 5.85 1400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 1400.0 nM 5.85 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