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Compound Detail

CHEMBL1190575

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C[C@@H]1O[C@@H](OC2C[C@](O)(C(=O)CO)Cc3c(O)c4c(c(O)c32)C(=O)c2c(O)cccc2C4=O)C[C@H](N)[C@@H]1O

Basic Information

ChEMBL ID CHEMBL1190575
Phase Preclinical
Structure Type MOL
InChI Key XELCDTXCWBAMFX-OODLTTPBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

529.5
MW (Da)
-0.30
ALogP
12
HBA
7
HBD
217.1
PSA (Ų)
0.22
QED
3
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H27NO11
MW 529.50
Aromatic Rings 2
Heavy Atoms 38
NP-Likeness 1.96

Data from ChEMBL 36 via Core Engine