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Compound Detail

CHEMBL5222451

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CCCN(CCC)c1ccc(/C=C/c2cc[n+](OCC)c3ccccc23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5222451
Phase Preclinical
Structure Type MOL
InChI Key PZUBMFNEADDMHR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

375.5
MW (Da)
5.37
ALogP
2
HBA
0
HBD
16.4
PSA (Ų)
0.47
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H31N2O+
MW 375.54
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.28

Data from ChEMBL 36 via Core Engine