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Compound Detail

CHEMBL315934

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CCOC(=O)c1ccc(N2N=C(c3ccc(OCC)c(OCC)c3)C3CC=CCC3C2=O)cc1

Basic Information

ChEMBL ID CHEMBL315934
Phase Preclinical
Structure Type MOL
InChI Key OVLZKANHBRXYRB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

462.6
MW (Da)
4.99
ALogP
6
HBA
0
HBD
77.4
PSA (Ų)
0.41
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H30N2O5
MW 462.55
Aromatic Rings 2
Heavy Atoms 34
NP-Likeness -0.68

Activity Summary

IC50 1 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphodiesterase 4
CHEMBL2093863
IC50 8.0 8.0 10.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
12036361 10.1021/jm0110338 Phosphodiesterase 4 1
12036361 10.1021/jm0110338 Mus musculus 1

Data from ChEMBL 36 via Core Engine