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Compound Detail

CHEMBL3594512

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COc1c(-c2ccc(O)c(O)c2)oc2cc(O)cc(OCCN3CCCCC3)c2c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3594512
Phase Preclinical
Structure Type MOL
InChI Key ONQSNUBUGWIPRY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

427.4
MW (Da)
3.45
ALogP
8
HBA
3
HBD
112.6
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 C23H25NO7
MW 427.45
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness 0.72

Data from ChEMBL 36 via Core Engine