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Compound Detail

CHEMBL5421400

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CCOC(=O)C1=C(CN2CCN(C(C(=O)O)c3ccoc3)CC2)NC(c2nccs2)=NC1c1ccc(F)cc1Br
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5421400
Phase Preclinical
Structure Type MOL
InChI Key ZKMJHHJKTYMBAT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

632.5
MW (Da)
3.99
ALogP
10
HBA
2
HBD
120.5
PSA (Ų)
0.34
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H27BrFN5O5S
MW 632.51
Aromatic Rings 3
Heavy Atoms 40
NP-Likeness -1.07

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