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Compound Detail

CHEMBL598602

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NC(=O)Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL598602
Phase Preclinical
Structure Type MOL
InChI Key GIQFLXDZMWPARW-LKEWCRSYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

285.3
MW (Da)
-2.79
ALogP
7
HBA
4
HBD
147.6
PSA (Ų)
0.47
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H15N3O6
MW 285.26
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness 0.55

Literature References

PubMed DOI Target Context # Activities
20112915 10.1021/jm901758f Human immunodeficiency virus 1 6
20112915 10.1021/jm901758f CEM-SS 1
20112915 10.1021/jm901758f MT4 1

Data from ChEMBL 36 via Core Engine