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Compound Detail

CHEMBL472958

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CN(c1cccc(Cl)c1)c1c(C(N)=O)cnc2ccc(S(C)(=O)=O)cc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL472958
Phase Preclinical
Structure Type MOL
InChI Key FBXJKKPXYGNOFK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

389.9
MW (Da)
3.16
ALogP
5
HBA
1
HBD
93.4
PSA (Ų)
0.74
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 C18H16ClN3O3S
MW 389.86
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.71

Activity Summary

IC50 1 meas. best 6.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
3',5'-cyclic-AMP phosphodiesterase 4B
CHEMBL275
 IC50 6.0 6.0 1000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
3',5'-cyclic-AMP phosphodiesterase 4B IC50 = 1000.0 nM 6.0 Inhibition of human recombinant PDE4B by scintillation proximity assay 19195882

Literature References

PubMed DOI Target Context # Activities
19195882 10.1016/j.bmcl.2009.01.045 3',5'-cyclic-AMP phosphodiesterase 4B 1

Data from ChEMBL 36 via Core Engine