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Compound Detail

CHEMBL599827

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NC(=O)c1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL599827
Phase Preclinical
Structure Type MOL
InChI Key BOFVRFUMKYMSBC-RRKCRQDMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

271.2
MW (Da)
-2.72
ALogP
7
HBA
4
HBD
147.6
PSA (Ų)
0.47
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H13N3O6
MW 271.23
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness 0.65

Literature References

PubMed DOI Target Context # Activities
20112915 10.1021/jm901758f Human immunodeficiency virus 1 5
20112915 10.1021/jm901758f CEM-SS 1
20112915 10.1021/jm901758f MT4 1

Data from ChEMBL 36 via Core Engine