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Compound Detail

CHEMBL3559311

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COc1cc(/C=C/c2cc(N3CCN(C)CC3)c3ccccc3[n+]2C)cc(OC)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3559311
Phase Preclinical
Structure Type MOL
InChI Key QGDYYYCZRYQSCO-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

420.5
MW (Da)
3.31
ALogP
5
HBA
1
HBD
49.0
PSA (Ų)
0.64
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H30N3O3+
MW 420.53
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.04

Data from ChEMBL 36 via Core Engine