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Compound Detail

CHEMBL2368121

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C#C[C@@]1(O)[C@@H](CO)O[C@@H](n2cc(C)c(=O)[nH]c2=O)[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2368121
Phase Preclinical
Structure Type MOL
InChI Key GVFXQDTVLQIXNR-UJYYTQATSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

282.2
MW (Da)
-2.54
ALogP
7
HBA
4
HBD
124.8
PSA (Ų)
0.44
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 C12H14N2O6
MW 282.25
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness 1.01

Literature References

PubMed DOI Target Context # Activities
8960561 10.1021/jm960537g L1210 1
8960561 10.1021/jm960537g KB 1

Data from ChEMBL 36 via Core Engine