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Compound Detail

CHEMBL3594521

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COc1c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(OCCN3CCCCC3)c2c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3594521
Phase Preclinical
Structure Type MOL
InChI Key RYEQXPILUMLTOA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

443.4
MW (Da)
3.16
ALogP
9
HBA
4
HBD
132.8
PSA (Ų)
0.42
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 C23H25NO8
MW 443.45
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness 0.80

Data from ChEMBL 36 via Core Engine