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Compound Detail

CHEMBL4302714

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CC[N+](CC)(CC)CCCCOc1ccc(/C=C/c2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4302714
Phase Preclinical
Structure Type MOL
InChI Key IUEKLDYMAHZDFO-CCEZHUSRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

352.5
MW (Da)
5.89
ALogP
1
HBA
0
HBD
9.2
PSA (Ų)
0.28
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H34NO+
MW 352.54
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.11

Data from ChEMBL 36 via Core Engine