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Compound Detail

CHEMBL155681

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CNC(=O)c1cccc(-n2c(=O)n(Cc3ccccc3)c(=O)c3ccccc32)c1

Basic Information

ChEMBL ID CHEMBL155681
Phase Preclinical
Structure Type MOL
InChI Key RTRBVEMNVFXHFI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

385.4
MW (Da)
2.56
ALogP
5
HBA
1
HBD
73.1
PSA (Ų)
0.59
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 C23H19N3O3
MW 385.42
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.41

Activity Summary

IC50 1 meas. best 4.67

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 4.67 4.67 21400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 21400.0 nM 4.67 Inhibition of phosphodiesterase 4 from guinea pig lung 1995886

Literature References

PubMed DOI Target Context # Activities
1995886 10.1021/jm00106a024 Unchecked 1

Data from ChEMBL 36 via Core Engine