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Compound Detail

CHEMBL3594513

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COc1c(-c2ccc(O)c(O)c2)oc2cc(OCCN3CCOCC3)cc(O)c2c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3594513
Phase Preclinical
Structure Type MOL
InChI Key XNCDQKKXVCXIDJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

429.4
MW (Da)
2.30
ALogP
9
HBA
3
HBD
121.8
PSA (Ų)
0.51
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H23NO8
MW 429.43
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness 0.38

Data from ChEMBL 36 via Core Engine