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Compound Detail

CHEMBL4788593

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CO[C@]1(CO)O[C@@H](n2ccc(N)nc2=O)C(F)(F)[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4788593
Phase Preclinical
Structure Type MOL
InChI Key XSRGRVPMTQUTGJ-ZXFLCMHBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

293.2
MW (Da)
-1.31
ALogP
8
HBA
3
HBD
119.8
PSA (Ų)
0.63
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H13F2N3O5
MW 293.23
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness 1.13

Literature References

PubMed DOI Target Context # Activities
33479570 10.1021/acsmedchemlett.0c00485 Vero 2
33479570 10.1021/acsmedchemlett.0c00485 SARS-CoV-2 2
33479570 10.1021/acsmedchemlett.0c00485 HEL 2
33479570 10.1021/acsmedchemlett.0c00485 Unchecked 2
33479570 10.1021/acsmedchemlett.0c00485 Human alphaherpesvirus 3 2

Data from ChEMBL 36 via Core Engine