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Compound Detail

CHEMBL1179083

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CCCCCCNc1cc[n+](C)c2c(-c3ccccc3)cccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1179083
Phase Preclinical
Structure Type MOL
InChI Key VVZDIRGEFBJPDV-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

319.5
MW (Da)
5.32
ALogP
1
HBA
1
HBD
15.9
PSA (Ų)
0.46
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H27N2+
MW 319.47
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.15

Data from ChEMBL 36 via Core Engine