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Compound Detail

CHEMBL2367980

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

Basic Information

ChEMBL ID CHEMBL2367980
Phase Preclinical
Structure Type MOL
InChI Key ZKQQLROLWCFJDR-XHNCKOQMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

254.2
MW (Da)
-1.96
ALogP
6
HBA
4
HBD
115.5
PSA (Ų)
0.46
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H14N2O5
MW 254.24
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness 1.00

Literature References

PubMed DOI Target Context # Activities
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