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Compound Detail

CHEMBL3559268

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COc1cc(/C=C/c2ccc3ccccc3[n+]2C)ccc1N1CCOCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3559268
Phase Preclinical
Structure Type MOL
InChI Key WQRBOFIVDUAUAR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

361.5
MW (Da)
3.68
ALogP
3
HBA
0
HBD
25.6
PSA (Ų)
0.66
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 C23H25N2O2+
MW 361.47
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.57

Data from ChEMBL 36 via Core Engine