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Compound Detail

CHEMBL1199227

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c1cc[n+](CCOCC[n+]2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1199227
Phase Preclinical
Structure Type MOL
InChI Key HMEXVBNLYUWRDQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

230.3
MW (Da)
0.98
ALogP
1
HBA
0
HBD
17.0
PSA (Ų)
0.53
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 C14H18N2O+2
MW 230.31
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -0.17

Data from ChEMBL 36 via Core Engine