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Compound Detail

CHEMBL3142949

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COC(CCl)c1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3142949
Phase Preclinical
Structure Type MOL
InChI Key MZWWNHSSKMZZFV-NKSXPTFNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

320.7
MW (Da)
-0.90
ALogP
7
HBA
3
HBD
113.8
PSA (Ų)
0.61
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H17ClN2O6
MW 320.73
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness 0.89

Literature References

PubMed DOI Target Context # Activities
2709380 10.1021/jm00125a003 L1210 2
2709380 10.1021/jm00125a003 Vero 1
11585457 10.1021/jm010226s Hepatitis B virus 1

Data from ChEMBL 36 via Core Engine