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Compound Detail

CHEMBL387479

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CCc1nn(C2CCCC2)c2c1CCn1c(-c3ccccn3)nnc1-2

Basic Information

ChEMBL ID CHEMBL387479
Phase Preclinical
Structure Type MOL
InChI Key IWPHDQBTRZYUAV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

334.4
MW (Da)
3.44
ALogP
6
HBA
0
HBD
61.4
PSA (Ų)
0.74
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 C19H22N6
MW 334.43
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.14

Activity Summary

IC50 1 meas. best 6.58

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 6.58 6.58 260.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 260.0 nM 6.58 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