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Compound Detail

CHEMBL386902

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CCc1nn(C2CCCC2)c2c1CCn1c-2nnc1C1(C)CCCCC1

Basic Information

ChEMBL ID CHEMBL386902
Phase Preclinical
Structure Type MOL
InChI Key ZASAGHDYYLZTKC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

353.5
MW (Da)
4.60
ALogP
5
HBA
0
HBD
48.5
PSA (Ų)
0.81
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 C21H31N5
MW 353.51
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.45

Activity Summary

IC50 1 meas. best 7.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 7.4 7.4 40.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 40.0 nM 7.4 Inhibition of human eosinophil phosphodiesterase 17228876

Literature References

PubMed DOI Target Context # Activities
17228876 10.1021/jm060904g Unchecked 1

Data from ChEMBL 36 via Core Engine