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Compound Detail

CHEMBL150030

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NC[C@H]1O[C@@H](OC[C@@H]2CC[C@H](n3ccc(=O)[nH]c3=O)O2)[C@H](O)[C@@H]1O

Basic Information

ChEMBL ID CHEMBL150030
Phase Preclinical
Structure Type MOL
InChI Key UZMFWPNMXZMSTC-XAPBCISGSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

343.3
MW (Da)
-2.36
ALogP
9
HBA
4
HBD
149.0
PSA (Ų)
0.46
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 C14H21N3O7
MW 343.34
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness 1.57

Activity Summary

IC50 2 meas.

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