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Compound Detail

CHEMBL4459212

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C#C[C@@H]1O[C@@H]2COP(=O)(S)O[C@H]3[C@@H](F)[C@H](n4cnc5c(N)ncnc54)O[C@@H]3COP(=O)(S)O[C@@H]1[C@@H]2O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4459212
Phase Preclinical
Structure Type MOL
InChI Key LKHAPZNNTXNFPN-DPHDGMEMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

583.5
MW (Da)
1.30
ALogP
14
HBA
4
HBD
179.4
PSA (Ų)
0.21
QED
2
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H20FN5O9P2S2
MW 583.45
Aromatic Rings 2
Heavy Atoms 36
NP-Likeness 0.63

Literature References

PubMed DOI Target Context # Activities
31820978 10.1021/acs.jmedchem.9b01039 Stimulator of interferon genes protein 2

Data from ChEMBL 36 via Core Engine