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Compound Detail

CHEMBL4214541

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Cn1c(=O)c2c(nc(NCc3ccccn3)n2CCCC(=O)N/N=C/c2ccccc2O)n(C)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4214541
Phase Preclinical
Structure Type MOL
InChI Key MQMDUXNYJBQCTF-MZJWZYIUSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

490.5
MW (Da)
1.08
ALogP
11
HBA
3
HBD
148.4
PSA (Ų)
0.23
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H26N8O4
MW 490.52
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -1.83

Activity Summary

IC50 1 meas. best 5.11

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
3',5'-cyclic-AMP phosphodiesterase 4B
CHEMBL275
 IC50 5.11 5.11 7700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
3',5'-cyclic-AMP phosphodiesterase 4B IC50 = 7700.0 nM 5.11 Inhibition of human GST-tagged PDE4B expressed in baculovirus infected Sf9 insec... 29407965

Literature References

PubMed DOI Target Context # Activities
29407965 10.1016/j.ejmech.2018.01.068 3',5'-cyclic-AMP phosphodiesterase 4B 1
29407965 10.1016/j.ejmech.2018.01.068 High affinity 3',5'-cyclic-AMP phosphodiesterase 7A 1

Data from ChEMBL 36 via Core Engine