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Compound Detail

CHEMBL337979

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OCC1=C[C@@H](n2cnc3c(O)ncnc32)[C@H](O)[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL337979
Phase Preclinical
Structure Type MOL
InChI Key ZOGIBYIZRGKFQR-VDAHYXPESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

264.2
MW (Da)
-1.27
ALogP
8
HBA
4
HBD
124.5
PSA (Ų)
0.50
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C11H12N4O4
MW 264.24
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness 0.89

Literature References

PubMed DOI Target Context # Activities
12467606 10.1016/s0960-894x(02)00841-7 NON-PROTEIN TARGET 10
12467606 10.1016/s0960-894x(02)00841-7 Vero 10
11689085 10.1021/jm010256v Human immunodeficiency virus 1 1
11689085 10.1021/jm010256v West Nile virus 1
11689085 10.1021/jm010256v ADMET 1
11689085 10.1021/jm010256v Vero 1
11689085 10.1021/jm010256v CCRF-CEM 1

Data from ChEMBL 36 via Core Engine