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Compound Detail

CHEMBL3559273

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C[n+]1c(/C=C/c2ccccc2)ccc2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3559273
Phase Preclinical
Structure Type MOL
InChI Key INCQLZYLDCIBAL-ACCUITESSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

246.3
MW (Da)
3.83
ALogP
0
HBA
0
HBD
3.9
PSA (Ų)
0.60
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16N+
MW 246.33
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness 0.09

Data from ChEMBL 36 via Core Engine