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Compound Detail

CHEMBL158073

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[N-]=[N+]=N[C@@H]1CC(c2cnc(O)nc2O)O[C@@H]1CO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL158073
Phase Preclinical
Structure Type MOL
InChI Key HQWPHQAIJAAPEE-YFBHCESUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

253.2
MW (Da)
0.39
ALogP
7
HBA
3
HBD
144.5
PSA (Ų)
0.40
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 C9H11N5O4
MW 253.22
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness 0.98

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