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Compound Detail

CHEMBL351567

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COC(=O)c1cccc(-n2c(=O)n(CC3CCCC3)c(=O)c3cccnc32)c1

Basic Information

ChEMBL ID CHEMBL351567
Phase Preclinical
Structure Type MOL
InChI Key POUJMUAXVAJTGM-UHFFFAOYSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

379.4
MW (Da)
2.52
ALogP
7
HBA
0
HBD
83.2
PSA (Ų)
0.65
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H21N3O4
MW 379.42
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.29

Activity Summary

IC50 3 meas. best 8.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphodiesterase 4
CHEMBL2094267
IC50 8.6 7.88 2.5 2
Unchecked
CHEMBL612545
IC50 5.82 5.82 1520.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
1995886 10.1021/jm00106a024 Phosphodiesterase 4 2
1995886 10.1021/jm00106a024 Mus musculus 2
1995886 10.1021/jm00106a024 Unchecked 1

Data from ChEMBL 36 via Core Engine