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Compound Detail

CHEMBL223557

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O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL223557
Phase Preclinical
Structure Type MOL
InChI Key UIJSURSVLVISBO-UBKIQSJTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

244.2
MW (Da)
-2.12
ALogP
7
HBA
4
HBD
124.8
PSA (Ų)
0.47
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H12N2O6
MW 244.20
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness 1.15

Literature References

PubMed DOI Target Context # Activities
20112915 10.1021/jm901758f Human immunodeficiency virus 1 2
202709 10.1021/jm00200a018 Vaccinia virus 2
202709 10.1021/jm00200a018 Human alphaherpesvirus 1 2
17341060 10.1021/jm061445m ADMET 1
20112915 10.1021/jm901758f CEM-SS 1
20112915 10.1021/jm901758f MT4 1

Data from ChEMBL 36 via Core Engine