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Compound Detail

CHEMBL5439893

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CCOC(=O)C1=C(CN2CCN(C(C(=O)O)c3cccc(C#N)c3)CC2)NC(c2nccs2)=NC1c1ccc(F)cc1Br
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5439893
Phase Preclinical
Structure Type MOL
InChI Key NVPOIYDNPRWDNH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

667.6
MW (Da)
4.27
ALogP
10
HBA
2
HBD
131.2
PSA (Ų)
0.32
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H28BrFN6O4S
MW 667.56
Aromatic Rings 3
Heavy Atoms 43
NP-Likeness -1.52

Literature References

PubMed DOI Target Context # Activities
37974964 10.1039/d3md00461a Hepatitis B virus 1
37974964 10.1039/d3md00461a Unchecked 1
37974964 10.1039/d3md00461a ADMET 1

Data from ChEMBL 36 via Core Engine