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Compound Detail

CHEMBL1183046

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NC[C@H]1O[C@@H](O[C@@H](CNCCc2ccc(Oc3ccccc3)cc2)[C@@H]2C[C@@H](O)[C@H](n3ccc(=O)[nH]c3=O)O2)[C@H](O)[C@@H]1O

Basic Information

ChEMBL ID CHEMBL1183046
Phase Preclinical
Structure Type MOL
InChI Key DUUYVLXZKPZXPH-WBSGOERWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

584.6
MW (Da)
-0.40
ALogP
12
HBA
6
HBD
190.5
PSA (Ų)
0.15
QED
3
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H36N4O9
MW 584.63
Aromatic Rings 3
Heavy Atoms 42
NP-Likeness 0.81

Data from ChEMBL 36 via Core Engine