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Compound Detail

CHEMBL4784713

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CCCCCn1c(-c2ccc(OC)cc2)nc2c(N)ccnc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4784713
Phase Preclinical
Structure Type MOL
InChI Key LBQUQRYGSSTDCI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

310.4
MW (Da)
3.88
ALogP
5
HBA
1
HBD
66.0
PSA (Ų)
0.70
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H22N4O
MW 310.40
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.89

Activity Summary

IC50 1 meas. best 4.38

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
3',5'-cyclic-AMP phosphodiesterase 4B
CHEMBL275
 IC50 4.38 4.38 41520.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
3',5'-cyclic-AMP phosphodiesterase 4B IC50 = 41520.0 nM 4.38 Inhibition of human recombinant PDE4B using cAMP as substrate incubated for 20 m... 33022582

Literature References

PubMed DOI Target Context # Activities
33022582 10.1016/j.ejmech.2020.112854 3',5'-cyclic-AMP phosphodiesterase 4B 1
33022582 10.1016/j.ejmech.2020.112854 High affinity 3',5'-cyclic-AMP phosphodiesterase 7A 1

Data from ChEMBL 36 via Core Engine