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Compound Detail

CHEMBL1178314

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COC(=O)C1CCN(C[C@H](O[C@@H]2O[C@H](CN)[C@@H](O)[C@H]2O)[C@@H]2C[C@@H](O)[C@H](n3ccc(=O)[nH]c3=O)O2)CC1

Basic Information

ChEMBL ID CHEMBL1178314
Phase Preclinical
Structure Type MOL
InChI Key DQXDXDRBWGBIMV-QSEOBNCBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

514.5
MW (Da)
-3.14
ALogP
13
HBA
5
HBD
198.8
PSA (Ų)
0.22
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 C22H34N4O10
MW 514.53
Aromatic Rings 1
Heavy Atoms 36
NP-Likeness 0.86

Data from ChEMBL 36 via Core Engine