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Compound Detail

CHEMBL373810

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CCc1nn(C2CCCC2)c2c1CCn1c-2nnc1C(CC)CC

Basic Information

ChEMBL ID CHEMBL373810
Phase Preclinical
Structure Type MOL
InChI Key VACGJMCPWAYHMI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

327.5
MW (Da)
4.28
ALogP
5
HBA
0
HBD
48.5
PSA (Ų)
0.82
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H29N5
MW 327.48
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.90

Activity Summary

IC50 1 meas. best 7.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 7.52 7.52 30.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 30.0 nM 7.52 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