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Compound Detail

CHEMBL4117931

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CN(C)c1ccc(/C=C/c2cc(N3CCOCC3)c3ccccc3[n+]2C)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4117931
Phase Preclinical
Structure Type MOL
InChI Key SLLXFOUALDGLPY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

374.5
MW (Da)
3.74
ALogP
3
HBA
0
HBD
19.6
PSA (Ų)
0.65
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 C24H28N3O+
MW 374.51
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.67

Data from ChEMBL 36 via Core Engine