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Compound Detail

CHEMBL1178302

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NC[C@H]1O[C@@H](O[C@@H](CNCc2cccnc2)[C@@H]2C[C@@H](O)[C@H](n3ccc(=O)[nH]c3=O)O2)[C@H](O)[C@@H]1O

Basic Information

ChEMBL ID CHEMBL1178302
Phase Preclinical
Structure Type MOL
InChI Key JHZKBYIQMYIIEM-ZISSTWMGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

479.5
MW (Da)
-2.84
ALogP
12
HBA
6
HBD
194.2
PSA (Ų)
0.22
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H29N5O8
MW 479.49
Aromatic Rings 2
Heavy Atoms 34
NP-Likeness 0.77

Data from ChEMBL 36 via Core Engine