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Compound Detail

CHEMBL4117218

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CCN(CC)c1ccc(/C=C/c2ccc3ccccc3[n+]2C)c(OC)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4117218
Phase Preclinical
Structure Type MOL
InChI Key LFBXOORKQOCIDD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

348.5
MW (Da)
4.08
ALogP
3
HBA
0
HBD
29.2
PSA (Ų)
0.63
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H26N3O+
MW 348.47
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.53

Data from ChEMBL 36 via Core Engine