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Compound Detail

CHEMBL20028

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

Basic Information

ChEMBL ID CHEMBL20028
Phase Preclinical
Structure Type MOL
InChI Key FKPFMTSLBWUVHM-JLLKQESGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

416.4
MW (Da)
-4.28
ALogP
11
HBA
6
HBD
198.4
PSA (Ų)
0.23
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H24N4O9
MW 416.39
Aromatic Rings 1
Heavy Atoms 29
NP-Likeness 1.50

Data from ChEMBL 36 via Core Engine