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Compound Detail

CHEMBL5397477

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C#Cc1cccc(C(C(=O)O)N2CCN(CC3=C(C(=O)OCC)C(c4ccc(F)cc4Br)N=C(c4nccs4)N3)CC2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5397477
Phase Preclinical
Structure Type MOL
InChI Key LQZDPHKRDMVMEY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

666.6
MW (Da)
4.38
ALogP
9
HBA
2
HBD
107.4
PSA (Ų)
0.26
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H29BrFN5O4S
MW 666.57
Aromatic Rings 3
Heavy Atoms 43
NP-Likeness -1.46

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