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Compound Detail

CHEMBL348339

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CCc1cn(C2C[C@@H](O)[C@@H](CN=[N+]=[N-])O2)c(=O)[nH]c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL348339
Phase Preclinical
Structure Type MOL
InChI Key LDSKQPSOPNZMGN-ZAZKALAHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

281.3
MW (Da)
0.06
ALogP
6
HBA
2
HBD
133.1
PSA (Ų)
0.46
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 C11H15N5O4
MW 281.27
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness 0.54

Literature References

PubMed DOI Target Context # Activities
2918508 10.1021/jm00123a018 Human immunodeficiency virus 1 1
2918508 10.1021/jm00123a018 ADMET 1

Data from ChEMBL 36 via Core Engine