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Compound Detail

CHEMBL4096023

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CCOC(=O)C1=C(CN2CCOCC2)NC(n2ncnn2)=NC1c1ccc(F)cc1Br
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4096023
Phase Preclinical
Structure Type MOL
InChI Key ZYULOYBBDKAWEQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

494.3
MW (Da)
1.27
ALogP
10
HBA
1
HBD
106.8
PSA (Ų)
0.62
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H21BrFN7O3
MW 494.32
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -1.47

Literature References

PubMed DOI Target Context # Activities
29381358 10.1021/acs.jmedchem.7b01914 Voltage-gated inwardly rectifying potassium channel KCNH2 1
29381358 10.1021/acs.jmedchem.7b01914 Hepatitis B virus 1

Data from ChEMBL 36 via Core Engine