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Compound Detail

CHEMBL464802

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Cc1ccc2c(=O)c(C(=O)NC(C)C)cn(-c3cccc(Br)c3)c2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL464802
Phase Preclinical
Structure Type MOL
InChI Key NWSCKDCLDMCWIV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

400.3
MW (Da)
3.59
ALogP
4
HBA
1
HBD
64.0
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H18BrN3O2
MW 400.28
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.58

Literature References

PubMed DOI Target Context # Activities
18835163 10.1016/j.bmcl.2008.09.009 3',5'-cyclic-AMP phosphodiesterase 4A 1
18835163 10.1016/j.bmcl.2008.09.009 Blood 1
18835163 10.1016/j.bmcl.2008.09.009 Voltage-gated inwardly rectifying potassium channel KCNH2 1

Data from ChEMBL 36 via Core Engine