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Compound Detail

CHEMBL5412863

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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)c1ccc(OC)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5412863
Phase Preclinical
Structure Type MOL
InChI Key QCMOGSRBOUSQII-WGQQHEPDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

545.6
MW (Da)
-0.46
ALogP
14
HBA
3
HBD
196.6
PSA (Ų)
0.25
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H27N9O6S
MW 545.58
Aromatic Rings 4
Heavy Atoms 38
NP-Likeness -0.72

Literature References

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

Data from ChEMBL 36 via Core Engine