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Compound Detail

CHEMBL347962

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NC[C@@H]1C[C@@H](O)[C@H](OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL347962
Phase Preclinical
Structure Type MOL
InChI Key CBWDVQMYEPKZTK-PJXXCCFTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

359.3
MW (Da)
-3.39
ALogP
10
HBA
5
HBD
169.3
PSA (Ų)
0.36
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 C14H21N3O8
MW 359.34
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness 1.53

Literature References

PubMed DOI Target Context # Activities
11229764 10.1016/s0960-894x(00)00714-9 Unchecked 1
30933853 10.1016/j.ejmech.2019.01.071 Escherichia coli 1

Data from ChEMBL 36 via Core Engine