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Compound Detail

CHEMBL16910

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CCc1[nH]c(O)nc1C(=O)c1ccccc1

Basic Information

ChEMBL ID CHEMBL16910
Phase Preclinical
Structure Type MOL
InChI Key WFTDUMHHURTSRM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

216.2
MW (Da)
1.91
ALogP
3
HBA
2
HBD
66.0
PSA (Ų)
0.77
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 C12H12N2O2
MW 216.24
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -0.52

Activity Summary

IC50 1 meas. best 4.27

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 4.27 4.27 54000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 54000.0 nM 4.27 Inhibition of crude canine cardiac c-AMP phosphodiesterase 2542552

Literature References

PubMed DOI Target Context # Activities
2542552 10.1021/jm00126a005 Mustela putorius furo 1
2542552 10.1021/jm00126a005 Unchecked 1

Data from ChEMBL 36 via Core Engine