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Compound Detail

CHEMBL3594520

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CCN(CC)CCOc1cc(O)cc2oc(-c3ccc(O)c(O)c3)c(OC)c(=O)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3594520
Phase Preclinical
Structure Type MOL
InChI Key WSTVJDUCJGTVHX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

415.4
MW (Da)
3.31
ALogP
8
HBA
3
HBD
112.6
PSA (Ų)
0.48
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H25NO7
MW 415.44
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness 0.75

Data from ChEMBL 36 via Core Engine