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Compound Detail

CHEMBL3559269

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C[n+]1c(/C=C/c2ccc(N3CCOCC3)cc2)ccc2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3559269
Phase Preclinical
Structure Type MOL
InChI Key RHZSWMSVLIQKIA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

331.4
MW (Da)
3.67
ALogP
2
HBA
0
HBD
16.4
PSA (Ų)
0.68
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H23N2O+
MW 331.44
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.65

Data from ChEMBL 36 via Core Engine