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Compound Detail

CHEMBL445643

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CCn1c(=O)c2ccccc2n(-c2cccc(C(=O)OC)c2)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL445643
Phase Preclinical
Structure Type MOL
InChI Key UKKGGULDZFNIHG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

324.3
MW (Da)
1.96
ALogP
6
HBA
0
HBD
70.3
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16N2O4
MW 324.34
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.27

Activity Summary

IC50 1 meas. best 5.42

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 5.42 5.42 3800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 3800.0 nM 5.42 Inhibition of phosphodiesterase 4 from guinea pig lung 1995886

Literature References

PubMed DOI Target Context # Activities
1995886 10.1021/jm00106a024 Unchecked 1
1995886 10.1021/jm00106a024 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine