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Compound Detail

CHEMBL31046

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CCn1nc(-c2ccccc2)c2c(C)nn(C)c2c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL31046
Phase Preclinical
Structure Type MOL
InChI Key UEDBKAMYEOWOEK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

268.3
MW (Da)
2.13
ALogP
5
HBA
0
HBD
52.7
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H16N4O
MW 268.32
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -1.63

Activity Summary

IC50 1 meas. best 5.13

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphodiesterase 4
CHEMBL2093863
 IC50 5.13 5.13 7400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Phosphodiesterase 4 IC50 = 7400.0 nM 5.13 Inhibition of guinea pig ventricular Phosphodiesterase 4 9154964

Literature References

PubMed DOI Target Context # Activities
9154964 10.1021/jm970105l Phosphodiesterase 4 2
9154964 10.1021/jm970105l Phosphodiesterase 3 1

Data from ChEMBL 36 via Core Engine