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Compound Detail

CHEMBL326609

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COc1cc(OC)c2c(c1)C1CC(c3ccoc3)(c3ccoc3)C2c2cccc[n+]21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL326609
Phase Preclinical
Structure Type MOL
InChI Key JGWSSKJXZVVXRZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

400.4
MW (Da)
4.60
ALogP
4
HBA
0
HBD
48.6
PSA (Ų)
0.47
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H22NO4+
MW 400.45
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness 0.67

Data from ChEMBL 36 via Core Engine