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Compound Detail

CHEMBL5498588

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CC[N+](CC)(CC)CCOc1ccc(-c2ccc3occc3c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5498588
Phase Preclinical
Structure Type MOL
InChI Key HPVLVGXFFPQGMO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

338.5
MW (Da)
5.36
ALogP
2
HBA
0
HBD
22.4
PSA (Ų)
0.52
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H28NO2+
MW 338.47
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.01

Data from ChEMBL 36 via Core Engine