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Compound Detail

CHEMBL5434990

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CCN(Cc1cn(C[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)nn1)S(=O)(=O)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5434990
Phase Preclinical
Structure Type MOL
InChI Key BBCGJJPMMVGYSC-QTQZEZTPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

515.6
MW (Da)
-0.47
ALogP
13
HBA
3
HBD
187.4
PSA (Ų)
0.28
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H25N9O5S
MW 515.56
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -0.78

Literature References

PubMed DOI Target Context # Activities
38516599 10.1039/d3md00737e Replicase polyprotein 1ab 2

Data from ChEMBL 36 via Core Engine